data_1tlh_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 1tlh _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 ' 3' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -52.35 58.67 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.953 -1.022 . . . . 0.0 112.619 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -69.91 -35.65 65.59 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 121.579 -0.701 . . . . 0.0 112.53 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -56.83 -43.73 81.34 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 119.952 -1.717 . . . . 0.0 111.925 170.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -65.11 -47.9 75.56 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.129 0.972 . . . . 0.0 111.987 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -53.79 -50.74 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 111.706 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -50.58 -48.83 57.53 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.3 1.44 . . . . 0.0 114.504 170.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -52.25 -61.83 2.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.761 1.624 . . . . 0.0 113.487 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.71 -49.19 14.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 126.363 1.865 . . . . 0.0 114.626 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.26 17.9 pt -64.4 -39.31 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 123.289 0.635 . . . . 0.0 112.612 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -61.58 -52.07 65.95 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.943 -1.098 . . . . 0.0 111.458 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.0 -31.12 49.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 124.721 1.208 . . . . 0.0 112.177 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.94 -25.28 48.18 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 119.867 -1.77 . . . . 0.0 114.139 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -70.37 -45.68 65.58 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 124.555 2.122 . . . . 0.0 109.281 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.5 mt -30.18 -64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 129.545 3.138 . . . . 0.0 115.141 152.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -49.78 -55.5 13.82 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.597 -1.315 . . . . 0.0 113.981 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 mm -48.62 -49.46 14.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 C-N-CA 129.505 3.122 . . . . 0.0 113.739 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.515 ' HZ3' ' CD ' ' B' ' 555' ' ' GLU . 19.9 pttt -96.94 -24.42 15.84 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.883 -1.761 . . . . 0.0 115.686 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -76.44 -65.73 0.89 Allowed 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.781 -1.2 . . . . 0.0 111.734 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -102.87 -17.53 15.49 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 120.752 -1.217 . . . . 0.0 110.973 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.42 8.8 mtm180 72.81 -140.05 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 166.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.5 -9.59 59.67 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 120.208 -1.558 . . . . 0.0 112.229 -162.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -65.39 0.58 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.371 2.268 . . . . 0.0 113.035 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 pt -89.57 -28.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-O 121.785 0.803 . . . . 0.0 112.513 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -53.12 -46.13 54.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.377 0 C-N-CA 127.507 2.323 . . . . 0.0 113.275 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -42.77 -66.0 0.41 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 127.128 2.171 . . . . 0.0 113.924 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 108.39 4.47 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -163.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -40.68 -49.9 3.05 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.577 1.951 . . . . 0.0 115.924 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.61 77.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.02 -48.12 80.99 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.306 1.842 . . . . 0.0 111.569 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.61 -53.0 52.72 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.495 -1.378 . . . . 0.0 113.57 175.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -75.06 -32.66 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 120.798 -1.189 . . . . 0.0 109.021 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.2 65.63 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.12 -38.55 78.92 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.656 1.182 . . . . 0.0 110.63 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.9 -43.16 75.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.024 -1.047 . . . . 0.0 111.699 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -69.29 -34.44 74.72 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 119.61 -1.931 . . . . 0.0 114.524 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -36.74 -49.93 0.81 Allowed 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.826 2.05 . . . . 0.0 115.148 169.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.11 -2.14 10.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.344 1.457 . . . . 0.0 112.088 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.88 41.2 62.73 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 120.509 -1.37 . . . . 0.0 116.417 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -79.9 102.07 5.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.511 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.7 m -113.25 159.76 19.0 Favored 'General case' 0 C--N 1.365 1.256 0 O-C-N 119.7 -1.875 . . . . 0.0 107.543 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -146.83 134.15 20.66 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 49.76 25.37 1.5 Allowed 'General case' 0 C--N 1.357 0.907 0 C-N-CA 127.583 2.353 . . . . 0.0 114.56 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.55 -5.68 82.41 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 126.511 2.005 . . . . 0.0 114.605 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -106.5 136.5 46.16 Favored 'General case' 0 N--CA 1.441 -0.921 0 O-C-N 120.894 -1.357 . . . . 0.0 111.084 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -84.23 137.1 33.66 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.595 -1.315 . . . . 0.0 107.85 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.26 0.4 OUTLIER -79.4 92.71 5.24 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.463 -2.023 . . . . 0.0 115.554 -162.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -70.43 171.24 10.4 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 111.734 162.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -58.4 -28.31 65.07 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -170.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.71 -66.89 0.32 Allowed 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 112.661 161.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 m -71.95 -30.79 65.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 126.481 1.912 . . . . 0.0 113.314 -170.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.33 -49.94 74.97 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 126.094 1.758 . . . . 0.0 112.047 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -80.33 -35.16 35.98 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.143 -0.973 . . . . 0.0 110.794 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -63.21 -29.17 70.56 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 tt -74.64 -23.94 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 O-C-N 120.021 -1.674 . . . . 0.0 113.927 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.69 -41.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 127.757 2.423 . . . . 0.0 112.113 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -72.65 -53.12 12.65 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 127.152 2.181 . . . . 0.0 113.334 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -88.11 81.07 7.49 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.527 -1.983 . . . . 0.0 106.427 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.13 143.64 36.3 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.8 m -57.68 124.8 20.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 126.275 1.83 . . . . 0.0 111.651 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -46.82 -46.46 20.79 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.993 1.717 . . . . 0.0 114.976 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.69 -41.98 99.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.13 -30.73 34.47 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 120.968 -1.083 . . . . 0.0 110.841 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -59.03 -47.31 85.69 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.939 0.876 . . . . 0.0 112.139 166.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -69.2 -37.57 78.17 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 121.268 -0.895 . . . . 0.0 111.754 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.1 m -47.83 -42.88 27.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.876 1.27 . . . . 0.0 113.835 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.26 -46.38 64.53 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.744 -1.222 . . . . 0.0 111.782 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.8 mt -49.75 -51.24 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.74 1.616 . . . . 0.0 111.706 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -55.18 -61.91 2.02 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 128.168 2.587 . . . . 0.0 114.932 175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.2 -47.2 15.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.254 -0.904 . . . . 0.0 113.179 -171.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.86 71.29 2.52 Favored 'General case' 0 CA--C 1.513 -0.454 0 O-C-N 120.299 -1.5 . . . . 0.0 108.959 -176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -45.18 -63.5 0.92 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 125.875 1.67 . . . . 0.0 114.575 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.83 -37.3 17.89 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.595 1.158 . . . . 0.0 110.697 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.88 91.56 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -73.7 -49.99 23.05 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.412 -1.64 . . . . 0.0 110.42 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -55.17 -39.2 69.26 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.535 1.134 . . . . 0.0 111.956 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.84 -61.04 4.56 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 126.552 2.025 . . . . 0.0 114.424 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.16 -46.98 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 119.505 -2.174 . . . . 0.0 112.789 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -38.34 -63.89 0.46 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 127.72 2.408 . . . . 0.0 116.273 168.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -61.14 -35.8 78.05 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 120.343 -1.473 . . . . 0.0 113.387 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -77.04 -38.29 53.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 121.194 -0.941 . . . . 0.0 111.384 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.35 -40.66 77.36 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.114 -1.616 . . . . 0.0 112.802 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.65 -30.59 64.42 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 112.128 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.4 ttp -72.82 -51.72 17.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.858 -1.151 . . . . 0.0 113.519 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -83.71 -57.07 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.368 -1.458 . . . . 0.0 113.79 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.0 p -84.21 101.64 12.02 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 120.592 -1.318 . . . . 0.0 113.2 -159.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -91.76 -166.52 1.58 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 109.687 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 pttt . . . . . 0 C--N 1.349 0.559 0 O-C-N 119.507 -1.995 . . . . 0.0 111.26 166.022 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 121.266 0.555 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.53 -42.13 74.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 125.141 1.376 . . . . 0.0 113.078 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.17 -58.64 7.33 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.807 -1.183 . . . . 0.0 114.101 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.56 -25.51 41.59 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 111.706 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.35 -2.65 8.92 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 121.193 -0.942 . . . . 0.0 115.304 160.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.293 2.1 pp -94.44 130.6 40.74 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.745 2.688 . . . . 0.0 117.323 -172.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -79.49 144.93 33.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 112.225 -2.261 . . . . 0.0 109.503 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.46 -36.56 0.58 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.761 2.024 . . . . 0.0 116.049 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -64.98 -39.97 94.26 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 122.896 1.331 . . . . 0.0 112.96 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . 0.515 ' CD ' ' HZ3' ' A' ' 20' ' ' LYS . 43.4 mt-10 -73.65 -43.19 60.13 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.644 2.378 . . . . 0.0 110.503 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.28 74.45 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.48 -0.762 . . . . 0.0 111.423 170.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -71.66 -48.91 44.5 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.433 -1.417 . . . . 0.0 110.469 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 21.0 m -62.04 -28.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.326 0 CA-C-N 121.583 1.992 . . . . 0.0 114.548 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.78 -55.18 32.79 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.107 1.363 . . . . 0.0 110.709 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.84 5.59 13.29 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.55 -1.344 . . . . 0.0 113.991 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 34.1 mtt -94.12 -62.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.336 -1.478 . . . . 0.0 110.066 166.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.994 1.318 . . . . 0.0 114.188 -165.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -87.1 -20.7 26.71 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.111 0.964 . . . . 0.0 109.933 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 90.14 3.24 73.15 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 120.829 -1.169 . . . . 0.0 114.751 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -94.02 123.42 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 118.365 1.082 . . . . 0.0 109.348 -172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -89.36 100.76 13.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.855 -1.153 . . . . 0.0 112.729 -169.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -92.2 109.25 20.62 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 164.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -174.89 -34.85 0.01 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -166.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 2.1 p -70.9 175.29 5.2 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.541 1.936 . . . . 0.0 113.334 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.68 132.2 51.5 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 111.576 167.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -122.42 115.84 22.96 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.156 -0.965 . . . . 0.0 109.801 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 20.4 m -111.27 146.21 37.42 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 11.9 mt -1.71 -62.52 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 162.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.47 -33.23 54.68 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.926 -1.109 . . . . 0.0 112.338 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.31 -43.71 66.57 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.274 1.43 . . . . 0.0 109.796 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.63 -47.36 49.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.414 1.486 . . . . 0.0 110.836 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -51.14 -55.16 20.17 Favored Glycine 0 C--N 1.353 1.502 0 C-N-CA 124.718 1.151 . . . . 0.0 114.803 171.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -71.58 -32.37 67.99 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 119.101 1.45 . . . . 0.0 108.47 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.91 -30.55 67.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 120.365 -1.459 . . . . 0.0 112.313 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -72.39 -56.72 4.99 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.394 -1.441 . . . . 0.0 112.652 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -24.73 -65.39 0.05 OUTLIER 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 152.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.97 -55.55 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.853 1.661 . . . . 0.0 111.579 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 38.0 m -48.34 -40.36 25.08 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 167.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.37 -50.96 41.38 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.994 -1.691 . . . . 0.0 110.439 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.947 0.899 . . . . 0.0 113.239 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -56.01 -37.42 69.13 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.645 -1.284 . . . . 0.0 112.648 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.33 -38.54 82.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 120.666 -1.272 . . . . 0.0 110.307 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.51 -19.08 58.34 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 118.492 -2.63 . . . . 0.0 109.814 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -72.39 -40.83 66.94 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.283 -1.511 . . . . 0.0 112.04 165.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.18 -46.11 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 120.236 -1.54 . . . . 0.0 114.569 165.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -45.22 -60.45 2.11 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 128.425 2.69 . . . . 0.0 112.136 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.94 -51.72 4.32 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.33 2.252 . . . . 0.0 114.075 170.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -73.82 -28.82 61.81 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 123.549 0.74 . . . . 0.0 111.394 -174.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.94 -37.29 40.07 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.841 1.256 . . . . 0.0 111.249 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.1 1.48 11.02 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -91.42 -29.53 17.01 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.329 1.851 . . . . 0.0 110.727 163.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -74.2 -29.28 61.67 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 119.32 -2.113 . . . . 0.0 112.587 170.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.08 76.05 10.1 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-O 123.848 1.785 . . . . 0.0 111.276 170.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -74.93 -29.05 60.84 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.604 2.762 . . . . 0.0 114.064 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -74.86 147.47 84.05 Favored Pre-proline 0 C--N 1.348 0.537 0 O-C-N 120.907 -1.121 . . . . 0.0 112.164 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo . . . . . 0 C--O 1.234 0.297 0 C-N-CA 122.031 1.82 . . . . 0.0 115.509 176.615 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 N--CA 1.443 -0.815 0 CA-C-O 122.732 1.254 . . . . 0.0 114.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -74.81 -63.0 1.35 Allowed 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.519 -1.363 . . . . 0.0 110.334 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tp -71.56 -27.06 27.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 C-N-CA 124.395 1.078 . . . . 0.0 112.185 -166.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.98 -44.83 88.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.523 1.529 . . . . 0.0 111.572 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 m -63.59 -51.07 66.9 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 120.737 -1.227 . . . . 0.0 110.841 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.394 1.0 OUTLIER -56.88 -39.95 68.37 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 O-C-N 120.884 -1.135 . . . . 0.0 113.533 172.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -57.03 -38.57 73.35 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.053 1.741 . . . . 0.0 114.258 172.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.07 -54.83 38.05 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.563 -1.336 . . . . 0.0 110.325 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.0 -35.28 46.98 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 126.847 2.059 . . . . 0.0 114.617 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.2 mt -61.87 -52.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.516 . . . . 0.0 109.967 171.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 m -58.15 -53.59 56.57 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.264 1.426 . . . . 0.0 113.001 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -51.43 -52.0 22.12 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 C-N-CA 128.277 2.631 . . . . 0.0 113.713 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 -24.17 61.09 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 120.423 -1.423 . . . . 0.0 113.362 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -72.63 -48.03 42.83 Favored 'General case' 0 C--N 1.36 1.065 0 O-C-N 120.563 -1.336 . . . . 0.0 107.405 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -34.02 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 127.998 2.519 . . . . 0.0 116.006 155.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -52.51 -43.88 65.37 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.795 -1.815 . . . . 0.0 112.909 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.34 -54.51 27.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 C-N-CA 128.74 2.816 . . . . 0.0 112.602 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -77.58 -33.83 53.77 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 116.976 -3.578 . . . . 0.0 111.749 -169.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -80.61 -42.38 22.3 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 124.023 0.929 . . . . 0.0 112.185 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.8 -8.31 9.45 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.409 16.8 mtt180 67.05 -124.03 0.23 Allowed 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -99.62 5.98 45.79 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.018 -1.676 . . . . 0.0 111.277 -165.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -51.2 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 131.187 3.795 . . . . 0.0 114.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.7 mt -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 122.197 0.998 . . . . 0.0 109.92 -167.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -41.47 -43.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.319 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -44.76 -59.83 2.32 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.522 1.529 . . . . 0.0 112.954 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -70.94 119.02 14.46 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.869 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.12 -35.18 76.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.47 -1.394 . . . . 0.0 114.346 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.94 64.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.755 -1.216 . . . . 0.0 112.818 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.5 -34.51 71.0 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.109 1.364 . . . . 0.0 114.145 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.9 -70.18 0.19 Allowed 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.215 -1.553 . . . . 0.0 113.754 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.4 mm -22.52 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 128.453 2.701 . . . . 0.0 115.269 149.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.49 63.79 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 119.864 -1.773 . . . . 0.0 115.682 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -44.61 76.21 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.99 1.316 . . . . 0.0 111.286 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.69 -47.46 86.16 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 122.565 1.174 . . . . 0.0 110.468 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.94 -51.21 65.45 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 120.612 -1.305 . . . . 0.0 113.555 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.7 -57.28 3.28 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 167.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 pt -83.48 -11.38 11.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 119.666 -1.896 . . . . 0.0 111.67 -171.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.05 55.15 1.41 Allowed Glycine 0 CA--C 1.49 -1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 113.002 163.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.94 109.68 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 121.723 -0.869 . . . . 0.0 109.034 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -107.22 145.12 33.04 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 120.292 -1.505 . . . . 0.0 112.142 -167.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -151.03 132.29 14.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 164.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 56.55 19.98 4.57 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.2 -2.59 71.67 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.34 -1.475 . . . . 0.0 114.081 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -103.48 154.76 19.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.306 -1.703 . . . . 0.0 108.588 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -90.74 133.46 35.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 163.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.387 1.0 OUTLIER -72.72 102.31 3.31 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 124.738 2.209 . . . . 0.0 116.563 -166.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -69.04 177.86 2.49 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.597 1.959 . . . . 0.0 113.412 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -58.32 -36.98 74.19 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.64 -58.42 6.35 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.677 1.591 . . . . 0.0 113.331 166.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.0 t -65.19 -32.49 74.19 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.528 1.531 . . . . 0.0 113.481 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -63.44 -57.46 10.2 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 125.757 1.623 . . . . 0.0 111.755 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -76.07 -11.16 59.89 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 119.591 -1.943 . . . . 0.0 112.461 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -62.5 -48.04 81.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.745 -1.222 . . . . 0.0 113.736 165.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.6 pt -67.37 -24.49 31.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 119.773 -1.829 . . . . 0.0 113.214 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.77 -36.14 63.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.677 1.191 . . . . 0.0 111.458 169.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 -48.32 70.72 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 119.732 -1.855 . . . . 0.0 113.181 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.93 -18.29 55.99 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 127.716 2.407 . . . . 0.0 117.293 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.29 150.06 20.65 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.206 -1.559 . . . . 0.0 111.02 174.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.1 p -86.72 173.87 9.2 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-O 124.414 2.054 . . . . 0.0 114.176 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -55.23 -35.62 65.14 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.257 -2.152 . . . . 0.0 115.785 161.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -70.33 -52.35 23.36 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 120.411 -1.431 . . . . 0.0 113.51 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.308 1.0 OUTLIER -38.54 -58.1 1.08 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 124.446 2.069 . . . . 0.0 115.25 165.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -58.99 -42.07 89.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.583 2.353 . . . . 0.0 114.157 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -72.59 -40.58 66.46 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 124.428 1.091 . . . . 0.0 109.917 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.4 m -52.12 -45.15 64.83 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.939 2.096 . . . . 0.0 112.35 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -58.96 5.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.08 2.152 . . . . 0.0 112.827 171.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -48.52 -46.63 14.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 C-N-CA 124.75 1.22 . . . . 0.0 112.662 172.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -36.36 82.98 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.45 -1.406 . . . . 0.0 114.26 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -80.03 -56.23 4.39 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.034 1.334 . . . . 0.0 111.669 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -104.7 78.7 1.47 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.045 2.138 . . . . 0.0 109.087 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -60.27 -64.94 0.78 Allowed 'General case' 0 C--N 1.351 0.63 0 C-N-CA 125.53 1.532 . . . . 0.0 113.026 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.87 -41.64 59.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.089 0.956 . . . . 0.0 110.188 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.97 -58.86 12.06 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 126.596 2.046 . . . . 0.0 116.525 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -82.49 -44.84 15.47 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.751 -1.44 . . . . 0.0 111.471 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.82 -32.54 73.75 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.237 0.926 . . . . 0.0 111.757 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.27 -50.38 40.64 Favored Glycine 0 C--N 1.35 1.346 0 C-N-CA 124.712 1.148 . . . . 0.0 115.275 164.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.56 -49.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.608 2.204 . . . . 0.0 111.315 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -28.48 -54.72 0.11 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.484 2.314 . . . . 0.0 116.815 156.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -57.85 -28.87 64.51 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.41 -38.51 13.25 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.69 -1.256 . . . . 0.0 110.791 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -35.58 77.01 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 127.265 2.226 . . . . 0.0 114.519 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.14 -12.57 46.65 Favored 'General case' 0 C--N 1.346 0.413 0 O-C-N 120.179 -1.575 . . . . 0.0 112.705 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.5 ttm -92.02 -51.89 4.98 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.518 1.527 . . . . 0.0 112.421 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.62 -3.51 58.53 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.655 -1.278 . . . . 0.0 113.608 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.5 t -77.69 122.43 25.33 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 123.145 1.45 . . . . 0.0 113.316 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -92.17 148.79 21.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.691 -1.255 . . . . 0.0 110.542 173.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt . . . . . 0 C--N 1.358 0.948 0 O-C-N 119.547 -1.97 . . . . 0.0 110.635 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.224 -0.262 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.98 -47.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.319 1.448 . . . . 0.0 112.138 168.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.9 -54.15 43.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 113.157 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -75.44 -23.71 56.97 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 120.011 -1.681 . . . . 0.0 109.74 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 79.76 66.98 1.62 Allowed Glycine 0 CA--C 1.48 -2.137 0 C-N-CA 126.336 1.922 . . . . 0.0 111.213 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.4 pp -136.49 140.18 42.85 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 101.997 -3.334 . . . . 0.0 101.997 173.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 76.5 p -81.34 168.36 18.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.519 1.152 . . . . 0.0 111.434 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.84 -19.93 61.9 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.254 -2.154 . . . . 0.0 110.891 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -73.02 -28.27 62.25 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 123.103 1.43 . . . . 0.0 111.1 176.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.04 -44.19 73.15 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.071 1.348 . . . . 0.0 110.306 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.54 77.84 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.57 -1.331 . . . . 0.0 114.123 168.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -56.05 -58.33 8.38 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 122.214 1.007 . . . . 0.0 112.512 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.1 p -70.39 -23.75 24.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.144 -1.597 . . . . 0.0 115.257 -170.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.42 -42.39 87.81 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.813 -1.179 . . . . 0.0 111.474 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -55.77 -61.88 2.06 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 120.885 -1.134 . . . . 0.0 113.179 156.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -56.58 -66.62 0.41 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -89.19 -35.15 16.38 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.91 -1.118 . . . . 0.0 113.467 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -88.95 -21.32 23.61 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.833 -1.167 . . . . 0.0 111.158 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.21 46.9 9.65 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.386 -2.071 . . . . 0.0 114.686 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 2.7 mt -116.3 122.81 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -96.75 111.69 23.75 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -153.61 38.2 0.47 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 -166.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.18 73.78 1.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -169.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.6 t -140.19 -155.02 0.55 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 120.236 -1.54 . . . . 0.0 111.405 -150.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.2 129.18 37.33 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.412 1.485 . . . . 0.0 110.77 165.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.12 123.3 40.52 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 120.623 -1.298 . . . . 0.0 108.733 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 58.3 m -117.97 152.67 35.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -27.4 -58.14 0.1 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 128.246 2.618 . . . . 0.0 117.882 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -69.94 -38.62 76.21 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 120.299 -1.5 . . . . 0.0 111.274 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.54 -44.17 83.14 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.487 1.515 . . . . 0.0 112.056 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 16.9 t -51.07 -53.93 12.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 126.138 1.775 . . . . 0.0 111.332 171.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -63.75 -47.86 82.43 Favored Glycine 0 C--N 1.348 1.219 0 C-N-CA 124.715 1.15 . . . . 0.0 112.744 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -66.44 -39.24 88.79 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 123.306 1.527 . . . . 0.0 108.853 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.87 -27.26 69.22 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 127.163 2.185 . . . . 0.0 112.092 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.39 -61.99 1.59 Allowed 'General case' 0 C--N 1.349 0.576 0 C-N-CA 125.395 1.478 . . . . 0.0 111.324 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.02 -48.08 52.85 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 130.212 3.405 . . . . 0.0 117.35 163.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 70.3 t -48.88 -66.25 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.159 0.983 . . . . 0.0 112.196 162.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -9.91 57.78 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 -176.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -66.68 -48.59 68.85 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.674 -1.891 . . . . 0.0 107.737 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.3 -26.13 62.65 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.306 -1.315 . . . . 0.0 113.287 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -67.08 -33.04 74.64 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 118.929 -2.357 . . . . 0.0 112.122 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.95 -45.93 86.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 119.914 -1.741 . . . . 0.0 111.934 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -58.19 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 154.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -48.82 -51.38 29.78 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.99 -47.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 125.427 1.491 . . . . 0.0 112.786 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.83 -51.82 67.69 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.514 1.926 . . . . 0.0 111.484 -172.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -50.15 -45.2 52.97 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.911 1.685 . . . . 0.0 113.465 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -70.96 -47.87 56.52 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.445 1.098 . . . . 0.0 112.591 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.95 -39.88 66.31 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.732 1.613 . . . . 0.0 112.83 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 57.3 mt -75.45 -11.42 60.03 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.885 -1.134 . . . . 0.0 113.338 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -74.07 -26.36 60.34 Favored 'General case' 0 C--N 1.377 1.771 0 CA-C-N 122.754 2.525 . . . . 0.0 106.873 -169.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -24.57 56.31 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 131.05 3.74 . . . . 0.0 112.041 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 18.4 tp -74.45 137.89 42.9 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 163.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -131.28 -36.15 1.31 Allowed 'General case' 0 CA--C 1.503 -0.856 0 O-C-N 120.703 -1.248 . . . . 0.0 111.152 -162.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -78.24 152.9 79.35 Favored Pre-proline 0 C--N 1.349 0.569 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 163.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo . . . . . 0 C--N 1.324 -0.73 0 CA-C-N 122.864 2.059 . . . . 0.0 112.287 -179.669 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 123.404 1.574 . . . . 0.0 114.333 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -57.9 -44.46 86.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.591 2.356 . . . . 0.0 115.854 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.02 -30.34 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 125.485 1.514 . . . . 0.0 114.511 -169.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.25 -57.18 2.64 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.063 2.145 . . . . 0.0 114.212 168.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.6 m -79.58 -33.62 41.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.32 1.448 . . . . 0.0 110.002 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -54.13 -57.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 C-N-CA 124.581 1.152 . . . . 0.0 112.343 168.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -44.34 -48.97 9.7 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.055 1.742 . . . . 0.0 113.083 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -56.05 26.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 125.249 1.419 . . . . 0.0 113.796 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.23 -47.94 32.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.506 1.922 . . . . 0.0 113.752 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -59.25 -44.49 92.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 124.875 1.27 . . . . 0.0 111.794 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 m -59.63 -52.32 66.03 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.532 -1.355 . . . . 0.0 112.346 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.3 -30.93 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.608 1.163 . . . . 0.0 110.456 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.12 96.35 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 117.612 -3.18 . . . . 0.0 115.753 162.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -77.09 -42.22 39.03 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 121.655 2.025 . . . . 0.0 109.401 -164.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.0 mt -33.41 -62.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.927 0 C-N-CA 129.433 3.093 . . . . 0.0 114.248 158.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -56.16 -43.39 78.3 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-O 122.466 1.127 . . . . 0.0 113.746 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.32 -55.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 124.589 1.156 . . . . 0.0 112.413 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -71.72 -49.89 35.17 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 118.548 -2.595 . . . . 0.0 110.735 -171.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -72.08 -43.11 65.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.602 1.161 . . . . 0.0 113.139 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 p -116.02 -13.54 11.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.391 0.1 OUTLIER 61.18 -116.89 0.69 Allowed 'General case' 0 C--O 1.222 -0.355 0 O-C-N 119.819 -1.801 . . . . 0.0 112.495 -172.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -106.91 0.09 23.59 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.007 -1.683 . . . . 0.0 113.132 -163.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.07 -55.02 40.1 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 125.344 1.458 . . . . 0.0 113.93 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -89.14 -46.31 15.36 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.767 -1.208 . . . . 0.0 110.434 -176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 27' ' ' VAL . 5.6 t -35.96 -47.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 C-N-CA 129.487 3.115 . . . . 0.0 117.142 174.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.19 -33.86 74.14 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 123.776 1.751 . . . . 0.0 113.715 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -85.05 82.94 8.22 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -171.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -58.77 -29.74 67.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -159.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -34.61 78.42 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.595 -1.94 . . . . 0.0 114.458 170.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -33.16 74.24 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -61.14 -62.62 1.71 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.141 1.376 . . . . 0.0 113.901 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -22.61 -62.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 129.363 3.065 . . . . 0.0 112.269 144.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -40.33 75.58 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 118.322 -2.736 . . . . 0.0 116.289 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -42.64 84.3 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.231 1.413 . . . . 0.0 113.112 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.35 -42.83 99.33 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 119.875 -1.766 . . . . 0.0 112.498 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -76.65 -30.83 56.99 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.738 -1.226 . . . . 0.0 111.752 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -41.76 -60.19 1.44 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 128.006 2.522 . . . . 0.0 115.464 165.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.2 pt -89.19 6.77 3.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.158 0.98 . . . . 0.0 111.298 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.95 49.94 6.16 Favored Glycine 0 C--N 1.346 1.089 0 C-N-CA 125.77 1.653 . . . . 0.0 114.798 158.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -96.35 135.07 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -144.49 179.02 7.54 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -150.91 128.2 11.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.77 17.82 4.43 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.53 -8.4 74.57 Favored Glycine 0 C--N 1.356 1.663 0 O-C-N 120.216 -1.552 . . . . 0.0 113.014 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -102.55 143.04 32.76 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 120.855 -1.379 . . . . 0.0 108.55 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -74.68 145.15 43.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 120.468 -1.395 . . . . 0.0 110.954 169.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.73 74.17 9.19 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.086 -1.634 . . . . 0.0 112.625 -176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -75.02 -171.11 1.26 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.454 -1.404 . . . . 0.0 109.42 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -49.34 -43.05 43.44 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.992 -1.692 . . . . 0.0 114.669 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -58.97 -67.99 0.31 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-O 122.778 1.275 . . . . 0.0 113.896 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 p -76.65 -23.18 53.3 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 126.663 1.985 . . . . 0.0 112.962 -165.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.03 -48.53 81.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.323 1.049 . . . . 0.0 110.949 164.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -75.09 -28.78 60.42 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 120.34 -1.475 . . . . 0.0 111.482 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.82 -25.75 66.6 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.149 -1.594 . . . . 0.0 114.755 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 tt -81.02 -35.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 O-C-N 119.985 -1.697 . . . . 0.0 113.637 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -86.22 -34.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 127.325 2.25 . . . . 0.0 115.081 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -70.97 -58.49 3.53 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.263 1.825 . . . . 0.0 112.106 164.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.43 66.71 6.47 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.322 -2.111 . . . . 0.0 108.28 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.1 tp -122.35 147.77 45.87 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.59 3.556 . . . . 0.0 103.956 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -71.41 -174.78 1.12 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.647 -1.283 . . . . 0.0 113.039 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -83.44 -54.79 4.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.055 -1.653 . . . . 0.0 109.807 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -55.54 -46.88 77.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.978 1.711 . . . . 0.0 115.099 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.83 -28.65 24.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.986 -171.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.07 98.94 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.474 1.488 . . . . 0.0 111.074 165.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -68.34 -44.7 74.73 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 124.91 1.284 . . . . 0.0 110.937 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.4 m -50.01 -43.64 50.71 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.311 2.245 . . . . 0.0 113.751 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.66 -47.37 69.72 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.463 1.505 . . . . 0.0 111.009 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -53.52 -53.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 C-N-CA 123.842 0.857 . . . . 0.0 112.471 169.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -51.87 -33.05 34.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.123 1.769 . . . . 0.0 115.036 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -81.57 -53.67 6.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.052 1.341 . . . . 0.0 112.435 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.6 68.87 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.157 1.783 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -60.27 -54.79 41.57 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 124.95 1.3 . . . . 0.0 112.548 -170.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.2 -40.18 6.19 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 119.416 -2.053 . . . . 0.0 114.461 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.02 -54.08 21.03 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 119.628 1.714 . . . . 0.0 110.47 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -57.6 -40.07 78.24 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.185 1.794 . . . . 0.0 111.752 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.96 -56.34 12.97 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 125.742 1.639 . . . . 0.0 115.476 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.04 -39.67 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.227 2.014 . . . . 0.0 112.46 -168.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -43.83 71.5 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.403 -1.436 . . . . 0.0 110.145 -170.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -62.0 -46.74 87.89 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.446 0.1 OUTLIER -74.49 -17.97 60.68 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.314 -1.491 . . . . 0.0 113.982 -179.328 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.6 tp -71.3 -54.16 11.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.458 -0.776 . . . . 0.0 112.22 162.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -64.54 -32.93 74.78 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -16.37 62.68 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.252 -1.53 . . . . 0.0 113.495 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -72.51 -35.3 68.08 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.848 0.859 . . . . 0.0 113.074 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 p -93.53 135.54 34.69 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.057 1.408 . . . . 0.0 113.523 -166.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -115.67 153.97 30.35 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.703 -1.248 . . . . 0.0 111.972 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--N 1.36 1.037 0 O-C-N 119.839 -1.788 . . . . 0.0 111.112 177.623 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.446 -0.654 0 CA-C-O 121.001 0.429 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.65 -45.34 98.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.948 -1.095 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.37 -56.84 16.95 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.18 -26.13 42.71 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 119.763 1.165 . . . . 0.0 112.945 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 112.58 -33.23 5.76 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.076 -1.64 . . . . 0.0 111.668 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.34 115.72 18.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.971 0.891 . . . . 0.0 111.52 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 170.54 8.51 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 126.078 1.751 . . . . 0.0 114.539 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.98 -44.9 1.13 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 170.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -70.52 -38.39 74.25 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.275 1.512 . . . . 0.0 111.168 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.87 -52.56 59.46 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 129.047 2.939 . . . . 0.0 111.511 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.4 74.43 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.415 0.686 . . . . 0.0 112.808 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -70.07 -42.97 72.1 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.744 -1.223 . . . . 0.0 111.377 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.28 -29.69 48.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 119.902 -1.749 . . . . 0.0 113.075 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.0 -40.42 76.55 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.931 1.292 . . . . 0.0 112.252 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.5 mtm-85 -79.34 -37.64 37.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.58 1.152 . . . . 0.0 112.484 167.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 91.1 mtp -71.56 -59.44 2.76 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 117.388 -3.32 . . . . 0.0 114.683 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -92.78 -55.22 3.45 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.667 -1.271 . . . . 0.0 112.279 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -70.12 -23.14 62.98 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 112.493 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 73.8 42.81 37.36 Favored Glycine 0 C--N 1.349 1.269 0 C-N-CA 125.506 1.527 . . . . 0.0 116.136 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 48.9 mt -112.83 123.4 68.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 119.502 1.651 . . . . 0.0 107.568 171.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -89.92 97.7 11.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.339 -1.476 . . . . 0.0 112.531 -165.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.5 mtm -111.32 53.26 0.72 Allowed 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.386 -1.446 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -116.2 -24.08 8.15 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.445 -1.41 . . . . 0.0 111.172 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 10.5 p -74.97 -170.57 1.13 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.013 2.125 . . . . 0.0 113.36 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.23 125.82 27.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 119.526 -1.984 . . . . 0.0 113.332 168.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -122.01 139.86 53.17 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.662 1.185 . . . . 0.0 108.137 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 55.3 p -97.11 173.37 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 165.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 59.5 mt -71.81 -20.27 61.87 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.428 -1.42 . . . . 0.0 111.198 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -70.45 -43.77 69.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.243 -0.911 . . . . 0.0 111.865 167.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -59.59 -44.96 93.19 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 120.542 -1.349 . . . . 0.0 112.589 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 26.3 t -58.6 -48.33 85.98 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.89 1.276 . . . . 0.0 112.2 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.67 -43.33 99.41 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 124.951 1.263 . . . . 0.0 113.237 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -70.25 -27.01 64.11 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.148 -1.207 . . . . 0.0 109.712 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -21.69 63.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -74.22 -52.92 10.94 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.237 1.38 . . . . 0.0 110.493 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -34.61 -66.84 0.16 Allowed 'General case' 0 C--N 1.345 0.375 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 149.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 82.8 t -51.52 -56.46 5.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 119.634 1.107 . . . . 0.0 112.268 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 8.6 m -40.2 -54.27 2.36 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 163.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -68.5 -42.01 79.23 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.514 -1.991 . . . . 0.0 112.341 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -59.57 -46.84 87.74 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.546 1.938 . . . . 0.0 111.611 172.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -59.54 -43.57 93.47 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.492 -1.38 . . . . 0.0 112.259 172.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.98 -37.47 77.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 C-N-CA 125.041 1.336 . . . . 0.0 112.14 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -20.51 61.12 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 121.692 2.042 . . . . 0.0 109.146 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -78.06 -32.96 51.08 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.15 -2.218 . . . . 0.0 112.642 168.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 69.1 mt -55.91 -46.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 119.546 -1.971 . . . . 0.0 113.529 163.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -54.76 -54.63 39.55 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.411 2.684 . . . . 0.0 111.541 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.11 -55.83 6.47 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.618 1.567 . . . . 0.0 114.495 168.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -66.26 -45.11 81.69 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.943 -1.098 . . . . 0.0 112.692 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.07 73.92 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 73.0 mt -75.48 0.83 15.8 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 171.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -99.08 -34.32 10.44 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.07 -1.644 . . . . 0.0 108.983 165.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -68.04 -38.82 82.95 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 119.671 -1.893 . . . . 0.0 114.275 170.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . 0.466 ' HG ' ' H ' ' B' ' 599' ' ' ARG . 12.8 tp -76.95 166.46 23.3 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.727 -1.233 . . . . 0.0 109.805 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . 0.466 ' H ' ' HG ' ' B' ' 598' ' ' LEU . 3.7 tpt180 -156.52 -39.63 0.08 Allowed 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.531 -1.356 . . . . 0.0 109.483 -160.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.92 150.55 97.73 Favored Pre-proline 0 C--N 1.351 0.645 0 C-N-CA 124.301 1.04 . . . . 0.0 111.493 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo . . . . . 0 N--CA 1.458 -0.588 0 C-N-CA 121.78 1.653 . . . . 0.0 112.562 -177.622 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.7 -34.56 71.44 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.627 1.171 . . . . 0.0 112.695 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 mm -65.89 -27.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 121.326 -0.859 . . . . 0.0 113.026 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.9 -41.53 95.52 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.199 -1.563 . . . . 0.0 111.672 171.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -63.78 -43.05 97.5 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.145 -1.597 . . . . 0.0 111.946 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.33 -52.19 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.957 0.903 . . . . 0.0 112.59 173.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -50.33 -45.37 54.84 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 126.988 2.115 . . . . 0.0 113.78 168.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -57.48 -55.94 28.26 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.604 1.562 . . . . 0.0 113.062 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -45.89 -49.51 4.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 127.484 2.314 . . . . 0.0 113.946 168.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.58 -48.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-O 122.45 1.119 . . . . 0.0 110.04 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -63.73 -50.69 68.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.742 0.817 . . . . 0.0 113.1 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.64 -26.43 16.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.171 -1.581 . . . . 0.0 112.312 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.17 -17.18 59.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.979 -1.075 . . . . 0.0 113.183 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 m -73.8 -48.16 33.49 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.826 -1.796 . . . . 0.0 107.514 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.9 mt -32.71 -49.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 130.954 3.701 . . . . 0.0 115.752 154.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 -53.16 59.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.376 -2.077 . . . . 0.0 113.353 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 mt -81.12 -56.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 125.981 1.712 . . . . 0.0 115.122 -170.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -68.5 -46.95 68.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.348 2.499 . . . . 0.0 111.362 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -90.69 -48.61 6.95 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 130.32 3.448 . . . . 0.0 112.181 -163.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -105.15 -12.95 15.88 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 121.975 2.171 . . . . 0.0 116.09 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 82.3 165.43 0.13 Allowed 'General case' 0 C--N 1.343 0.324 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 163.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -38.35 -23.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.823 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -42.15 96.57 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 121.027 1.74 . . . . 0.0 115.147 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.4 pt -82.75 -36.14 13.02 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 O-C-N 120.085 -1.635 . . . . 0.0 111.315 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -46.95 -49.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.359 1.017 0 C-N-CA 126.951 2.101 . . . . 0.0 113.499 167.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -42.53 -43.8 3.87 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 128.051 2.541 . . . . 0.0 114.673 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -95.49 103.14 15.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -60.19 -38.9 84.69 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.276 -1.515 . . . . 0.0 113.207 -169.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -59.82 4.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.18 -47.8 71.64 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.315 2.246 . . . . 0.0 113.413 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.79 -53.28 59.31 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.718 1.607 . . . . 0.0 112.51 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.47 -36.42 48.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.051 0 O-C-N 119.475 -2.016 . . . . 0.0 109.07 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -16.59 6.03 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -29.52 68.25 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.845 0.858 . . . . 0.0 111.322 173.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.75 -49.7 20.04 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.005 -1.684 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -49.93 -61.83 1.91 Allowed 'General case' 0 C--N 1.357 0.899 0 C-N-CA 127.553 2.341 . . . . 0.0 113.043 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -29.24 -52.18 0.11 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.496 2.718 . . . . 0.0 117.049 168.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.9 pt -95.86 -8.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 O-C-N 121.09 -1.006 . . . . 0.0 112.526 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.62 42.5 5.43 Favored Glycine 0 C--N 1.347 1.184 0 O-C-N 120.858 -1.151 . . . . 0.0 115.313 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.7 t -86.45 111.21 21.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 118.836 1.318 . . . . 0.0 107.583 168.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -118.54 167.3 11.74 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.763 -1.211 . . . . 0.0 111.132 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -135.67 132.72 37.34 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.2 31.52 0.56 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.08 1.88 72.08 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 126.274 1.892 . . . . 0.0 114.498 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -107.29 138.51 43.35 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 120.913 -1.345 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -74.51 132.26 41.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.675 -1.265 . . . . 0.0 108.868 166.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 92.03 9.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.716 -1.865 . . . . 0.0 114.015 -170.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -74.87 173.37 10.7 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.997 1.319 . . . . 0.0 110.937 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -30.18 -63.13 0.14 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -48.45 -61.94 1.75 Allowed 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.21 2.204 . . . . 0.0 114.546 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.7 t -63.76 -40.03 95.71 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 126.979 2.112 . . . . 0.0 113.308 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.24 -57.34 13.47 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.78 2.032 . . . . 0.0 113.521 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -70.78 -26.42 63.33 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.996 -1.69 . . . . 0.0 113.999 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -65.08 -42.77 93.78 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 119.671 -1.893 . . . . 0.0 113.537 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.271 11.4 tt -60.13 -53.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 O-C-N 120.81 -1.181 . . . . 0.0 112.183 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.03 -30.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 CA-C-N 120.807 1.64 . . . . 0.0 111.169 -167.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.6 t -86.12 -17.26 35.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.937 -1.727 . . . . 0.0 114.521 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -95.16 17.2 14.61 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 123.586 2.903 . . . . 0.0 112.894 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.36 155.56 38.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 120.014 -1.679 . . . . 0.0 113.054 167.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.56 156.51 20.72 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 126.094 1.758 . . . . 0.0 110.482 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -66.85 -42.56 85.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.92 -52.5 56.09 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 125.342 1.457 . . . . 0.0 114.077 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.326 8.5 m-20 -45.92 -50.35 14.67 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 129.345 3.058 . . . . 0.0 116.456 160.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -56.43 -41.57 76.61 Favored 'General case' 0 C--N 1.373 1.627 0 O-C-N 120.196 -1.565 . . . . 0.0 112.867 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -72.75 -22.07 60.91 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 121.059 -1.025 . . . . 0.0 111.636 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -55.73 -46.48 77.76 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.179 -1.576 . . . . 0.0 111.442 164.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.07 -46.36 62.07 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.54 -1.35 . . . . 0.0 113.324 173.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.0 mt -55.12 -45.63 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.168 0.987 . . . . 0.0 112.877 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.55 -62.62 1.51 Allowed 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.501 -1.374 . . . . 0.0 113.358 170.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.08 -48.6 57.06 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.96 73.36 1.52 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.858 1.263 . . . . 0.0 109.323 -175.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -48.07 71.36 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.329 -1.482 . . . . 0.0 111.54 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.9 -35.46 78.53 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.432 -0.792 . . . . 0.0 111.378 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -62.41 5.44 Favored Glycine 0 C--N 1.345 1.052 0 C-N-CA 124.074 0.845 . . . . 0.0 113.934 172.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -75.9 -49.57 17.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.305 -1.703 . . . . 0.0 114.215 -170.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -71.75 -33.13 68.42 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 121.073 -1.017 . . . . 0.0 110.588 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.38 -40.92 92.8 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-O 119.426 -0.652 . . . . 0.0 113.76 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.77 -61.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 119.91 1.855 . . . . 0.0 112.745 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.278 7.5 p90 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 -166.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -68.06 -35.42 78.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.663 -1.273 . . . . 0.0 112.787 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -70.85 -51.66 25.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.488 1.115 . . . . 0.0 110.588 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 mt -47.62 -55.01 10.27 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 125.634 1.574 . . . . 0.0 113.747 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.98 -3.03 56.74 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -34.74 11.52 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.727 -1.233 . . . . 0.0 111.935 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -35.93 11.5 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.472 -1.393 . . . . 0.0 114.026 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 m -101.22 120.07 39.69 Favored 'General case' 0 CA--C 1.503 -0.844 0 O-C-N 120.409 -1.432 . . . . 0.0 107.878 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -91.38 162.83 14.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.741 0.782 . . . . 0.0 110.772 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm . . . . . 0 C--N 1.35 0.618 0 O-C-N 120.552 -1.343 . . . . 0.0 111.528 -173.663 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 CA--C 1.543 0.682 0 CA-C-O 121.118 0.485 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 49.5 t -48.7 -46.43 15.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 C-N-CA 127.024 2.129 . . . . 0.0 114.21 168.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.2 -40.86 71.26 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -84.19 -31.57 25.04 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.253 -1.53 . . . . 0.0 111.599 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 126.39 -9.34 7.37 Favored Glycine 0 CA--C 1.492 -1.353 0 O-C-N 120.849 -1.157 . . . . 0.0 112.266 165.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pp -83.3 131.45 35.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.539 1.637 . . . . 0.0 111.202 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 73.1 p -77.52 173.03 12.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 119.715 -1.866 . . . . 0.0 115.573 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.95 68.78 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.165 -1.585 . . . . 0.0 114.105 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -73.74 -17.76 61.07 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 122.604 1.192 . . . . 0.0 112.781 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.65 -39.82 43.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.564 -1.335 . . . . 0.0 110.12 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.71 72.97 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.224 1.01 . . . . 0.0 111.694 172.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -58.42 6.29 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.255 1.503 . . . . 0.0 114.569 164.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.29 -35.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 O-C-N 119.803 -1.811 . . . . 0.0 113.948 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.53 -46.93 83.75 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.884 1.274 . . . . 0.0 111.512 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.4 -29.82 64.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.127 -1.608 . . . . 0.0 112.759 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 32.5 mtp -81.09 -61.96 1.8 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-N 122.907 2.594 . . . . 0.0 114.28 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -90.2 -34.41 15.82 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.774 -1.204 . . . . 0.0 113.28 -169.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.12 -33.68 20.82 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.888 -0.508 . . . . 0.0 109.852 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 85.2 29.37 28.15 Favored Glycine 0 C--N 1.346 1.136 0 C-N-CA 124.974 1.273 . . . . 0.0 114.902 -174.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.03 120.87 64.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.744 1.772 . . . . 0.0 109.657 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.46 109.6 21.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.723 0.809 . . . . 0.0 109.58 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 4.8 ptm -122.65 50.04 1.55 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.839 1.256 . . . . 0.0 110.19 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -119.41 -36.74 3.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.962 1.305 . . . . 0.0 111.99 -152.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 m -94.3 -121.0 0.1 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.29 1.036 . . . . 0.0 109.167 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.43 107.92 19.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 122.894 2.588 . . . . 0.0 110.738 -167.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -119.93 123.31 43.25 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -85.48 179.03 7.22 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 122.496 1.141 . . . . 0.0 111.753 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.08 -20.24 57.88 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.355 -1.466 . . . . 0.0 110.652 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -69.93 -41.06 75.09 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 122.195 0.998 . . . . 0.0 109.933 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -76.47 -40.88 49.08 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.519 1.528 . . . . 0.0 114.732 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.01 -34.96 50.27 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 123.321 1.534 . . . . 0.0 111.241 163.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.14 39.4 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.158 -1.589 . . . . 0.0 112.794 169.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.48 -32.93 74.1 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 122.284 1.04 . . . . 0.0 109.736 -167.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -69.64 -25.25 63.83 Favored 'General case' 0 C--N 1.361 1.067 0 O-C-N 120.455 -1.403 . . . . 0.0 112.549 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -22.78 64.73 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 118.983 -2.323 . . . . 0.0 113.828 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -81.11 -67.76 0.75 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.415 1.486 . . . . 0.0 113.295 158.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 55.5 t -47.49 -63.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 C-N-CA 127.124 2.169 . . . . 0.0 114.642 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 5.1 m -59.68 -25.63 64.9 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -44.3 67.79 Favored 'General case' 0 C--N 1.363 1.171 0 O-C-N 118.679 -2.513 . . . . 0.0 109.949 173.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.61 -47.55 76.36 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.12 169.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -54.32 -43.97 71.65 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 120.044 -1.66 . . . . 0.0 113.529 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.39 -41.73 88.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.264 -1.522 . . . . 0.0 112.257 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -19.56 60.28 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 122.024 2.193 . . . . 0.0 108.777 -177.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.21 -36.37 69.15 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.239 -2.163 . . . . 0.0 113.338 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 63.6 mt -56.9 -48.17 81.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 126.361 1.864 . . . . 0.0 112.568 163.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.97 -55.87 27.51 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.059 2.144 . . . . 0.0 110.929 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -42.02 -47.84 4.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.561 1.944 . . . . 0.0 115.315 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -65.05 -48.33 74.19 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.757 -1.214 . . . . 0.0 112.323 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.84 -36.86 63.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.08 -13.28 60.47 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.179 -1.576 . . . . 0.0 114.022 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -92.5 -32.36 14.9 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.103 2.561 . . . . 0.0 108.059 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -71.93 -21.3 61.63 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.326 1.876 . . . . 0.0 114.254 166.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 66.8 mt -92.32 86.47 5.72 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.265 -1.522 . . . . 0.0 112.851 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -81.85 -2.54 51.41 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.383 -2.073 . . . . 0.0 115.252 172.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -83.79 115.86 61.81 Favored Pre-proline 0 C--N 1.348 0.5 0 O-C-N 119.143 -2.223 . . . . 0.0 110.28 161.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.458 -0.567 0 C-N-CA 122.611 2.208 . . . . 0.0 111.224 173.371 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.3 mttp . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 122.73 1.252 . . . . 0.0 112.818 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.22 -48.84 10.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 121.103 -0.998 . . . . 0.0 111.223 -176.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -64.02 -13.82 14.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 O-C-N 120.788 -1.195 . . . . 0.0 114.098 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -57.01 -52.09 66.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.026 -1.671 . . . . 0.0 112.45 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -70.77 -30.21 66.64 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.519 -1.363 . . . . 0.0 110.984 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.04 -46.39 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.624 0.77 . . . . 0.0 111.82 172.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -56.93 -38.23 72.59 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.438 -2.039 . . . . 0.0 113.778 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -59.89 -55.06 38.79 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 120.817 -1.177 . . . . 0.0 113.087 166.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.1 -46.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 C-N-CA 126.21 1.804 . . . . 0.0 113.535 172.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.15 -45.71 89.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 120.751 -1.218 . . . . 0.0 110.052 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -56.02 -54.3 46.5 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.824 1.249 . . . . 0.0 112.818 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.73 -26.86 18.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 O-C-N 121.213 -0.929 . . . . 0.0 112.084 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.55 61.36 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.395 -1.441 . . . . 0.0 112.529 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 t -75.38 -54.63 6.74 Favored 'General case' 0 C--N 1.362 1.15 0 CA-C-O 124.475 2.084 . . . . 0.0 105.956 -169.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.2 mt -28.95 -59.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.167 1 C-N-CA 132.81 4.444 . . . . 0.0 113.523 162.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.13 -47.89 68.31 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.519 1.152 . . . . 0.0 113.251 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.26 -49.18 56.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.776 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.94 -46.67 88.63 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.787 1.279 . . . . 0.0 111.382 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -87.52 -58.71 2.48 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 125.644 1.577 . . . . 0.0 112.528 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -107.37 2.14 24.2 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.907 -1.121 . . . . 0.0 112.772 -166.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.39 6.3 tpp180 63.62 -119.37 0.51 Allowed 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.975 1.71 . . . . 0.0 113.743 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.63 -11.17 9.47 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 121.1 1.773 . . . . 0.0 115.1 -163.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.26 -55.1 39.15 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.339 -1.476 . . . . 0.0 114.073 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -75.5 -34.38 29.55 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 O-C-N 120.691 -1.256 . . . . 0.0 113.561 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -40.8 -45.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 128.566 2.746 . . . . 0.0 116.669 164.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -51.37 -46.73 62.86 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 123.564 1.649 . . . . 0.0 114.428 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -75.79 114.46 14.43 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 113.485 -1.689 . . . . 0.0 110.54 -163.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -77.02 -36.46 56.21 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.249 -1.532 . . . . 0.0 111.933 -160.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.96 -46.75 80.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.658 0.783 . . . . 0.0 111.755 172.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -57.13 -43.75 82.67 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.22 -51.74 68.48 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.559 -1.338 . . . . 0.0 113.46 -172.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.02 -50.75 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 1 C-N-CA 132.92 4.488 . . . . 0.0 112.394 162.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -25.27 66.09 Favored 'General case' 0 CA--C 1.543 0.711 1 O-C-N 116.099 -4.125 . . . . 0.0 116.918 175.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -31.79 72.66 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.389 1.876 . . . . 0.0 110.708 172.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.21 -46.55 67.14 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 120.591 -1.318 . . . . 0.0 110.363 174.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.49 -43.07 99.51 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.854 -1.779 . . . . 0.0 112.113 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.98 -49.55 2.49 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 169.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.1 pt -92.1 0.88 9.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 121.066 -1.022 . . . . 0.0 111.671 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.89 50.47 5.91 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 120.395 -1.44 . . . . 0.0 114.23 170.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -87.32 110.69 20.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.4 p -112.85 167.21 10.69 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.466 -1.396 . . . . 0.0 107.613 170.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -144.05 134.74 24.99 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 47.17 27.04 0.75 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 -0.5 89.33 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 120.622 -1.299 . . . . 0.0 115.086 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 118.892 1.346 . . . . 0.0 109.152 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -75.96 134.79 40.1 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 120.237 -1.54 . . . . 0.0 107.677 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.35 82.68 0.05 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -174.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.9 -172.63 3.24 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.933 2.093 . . . . 0.0 114.83 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -58.56 -70.91 0.13 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 -166.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -46.5 -46.94 19.41 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 126.237 1.815 . . . . 0.0 115.739 164.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -64.0 -31.95 73.33 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.092 -1.63 . . . . 0.0 115.023 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -66.58 -40.67 89.05 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.734 1.214 . . . . 0.0 110.371 169.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -71.34 -45.43 62.96 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.243 -1.536 . . . . 0.0 109.848 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -55.36 -43.04 74.71 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.943 2.097 . . . . 0.0 114.451 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.7 tt -65.63 -36.78 78.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 121.056 -1.027 . . . . 0.0 112.548 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.27 -49.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 128.209 2.604 . . . . 0.0 113.807 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.6 p -70.95 -34.42 71.46 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 119.568 -1.957 . . . . 0.0 113.875 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -94.76 25.39 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 123.183 2.72 . . . . 0.0 113.57 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.27 145.3 55.91 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-O 123.654 1.692 . . . . 0.0 113.788 164.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -81.11 148.91 29.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.818 1.247 . . . . 0.0 107.883 163.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.88 -37.43 87.36 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -172.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.9 -41.41 64.64 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 120.542 -1.348 . . . . 0.0 112.923 -173.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.8 -62.08 1.22 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 129.286 3.035 . . . . 0.0 114.305 167.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -66.4 -35.42 80.28 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -73.08 -26.74 61.37 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.091 -1.63 . . . . 0.0 110.143 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.0 m -58.71 -39.12 79.88 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 119.618 -1.927 . . . . 0.0 112.478 167.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.81 -53.63 51.27 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.625 -1.297 . . . . 0.0 112.807 166.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.84 -55.36 2.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 125.476 1.51 . . . . 0.0 112.556 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.83 -27.18 69.15 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.291 -1.506 . . . . 0.0 114.18 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -79.72 -66.47 0.87 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.996 -1.065 . . . . 0.0 110.77 170.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.07 94.77 4.32 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.857 1.313 . . . . 0.0 110.455 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.62 -52.89 63.77 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 127.224 2.209 . . . . 0.0 112.064 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.77 -32.97 74.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 125.152 1.381 . . . . 0.0 110.729 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.49 -59.95 7.87 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 125.459 1.504 . . . . 0.0 112.712 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -76.57 -45.69 29.39 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.59 -30.63 71.48 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.804 -1.81 . . . . 0.0 112.541 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.76 -59.26 11.13 Favored Glycine 0 CA--C 1.491 -1.411 0 C-N-CA 125.493 1.52 . . . . 0.0 114.029 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.54 -44.64 99.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 CA-C-N 118.394 1.097 . . . . 0.0 112.61 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -34.51 -67.11 0.15 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 127.774 2.43 . . . . 0.0 114.564 168.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.4 mtm-85 -59.84 -50.06 75.29 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.286 20.2 p90 -78.66 -27.74 45.3 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.8 -1.812 . . . . 0.0 113.776 -176.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.9 -50.41 73.88 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.83 -1.169 . . . . 0.0 112.706 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.99 -16.81 57.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.728 -1.232 . . . . 0.0 114.287 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 43.9 ttp -71.7 -56.3 6.07 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.929 -1.107 . . . . 0.0 111.901 169.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -82.13 -51.64 7.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 120.554 -1.341 . . . . 0.0 113.931 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.2 m -109.45 106.08 15.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.908 0.861 . . . . 0.0 111.329 -158.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -120.2 166.07 13.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.933 1.349 . . . . 0.0 113.524 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.358 0.969 0 C-N-CA 128.059 2.544 . . . . 0.0 111.349 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 121.144 0.497 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.08 -42.86 80.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 120.012 -1.68 . . . . 0.0 113.19 165.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.87 -55.05 37.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.617 -1.302 . . . . 0.0 113.473 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -80.13 -17.57 52.18 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 119.592 -1.943 . . . . 0.0 110.775 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 117.79 -22.25 10.04 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 112.746 161.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.06 144.96 38.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 22.2 p -82.35 158.72 23.27 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 113.157 -1.838 . . . . 0.0 112.421 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.2 -11.1 12.77 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.533 -1.98 . . . . 0.0 114.54 170.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -82.03 -25.56 34.54 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.385 -1.447 . . . . 0.0 110.444 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.26 -42.22 75.85 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.354 1.462 . . . . 0.0 111.203 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.65 -22.46 65.32 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.172 -0.955 . . . . 0.0 112.623 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.93 -63.21 1.11 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.641 1.21 . . . . 0.0 111.22 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.24 -27.54 42.93 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.72 -55.29 28.04 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 124.597 1.159 . . . . 0.0 111.381 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -56.18 -41.36 75.37 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.303 1.841 . . . . 0.0 112.804 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 28.2 mtt -73.94 -69.57 0.43 Allowed 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 119.323 -2.111 . . . . 0.0 114.331 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -97.59 -28.18 14.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.537 1.135 . . . . 0.0 113.897 -159.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.35 -26.92 21.97 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.343 1.428 . . . . 0.0 110.36 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 84.79 35.03 13.87 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 120.86 -1.15 . . . . 0.0 114.465 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 24.6 mt -109.77 112.21 39.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 169.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -96.28 91.65 5.98 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.873 1.321 . . . . 0.0 107.947 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -114.31 49.7 1.0 Allowed 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 120.886 -1.133 . . . . 0.0 109.683 -169.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -96.83 46.48 1.05 Allowed 'General case' 0 C--N 1.349 0.548 0 O-C-N 119.172 -2.205 . . . . 0.0 111.606 -161.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 5.7 t -173.0 173.61 3.67 Favored 'General case' 0 CA--C 1.507 -0.676 0 O-C-N 120.099 -1.626 . . . . 0.0 107.585 -152.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -70.3 137.41 50.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 115.284 -169.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -129.19 127.63 41.71 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.442 162.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 74.4 p -72.16 163.03 28.61 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.747 1.219 . . . . 0.0 110.956 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.0 -31.2 68.59 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 118.065 2.617 . . . . 0.0 118.065 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -69.85 -44.95 68.82 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.622 -1.299 . . . . 0.0 111.341 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.62 -41.96 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 127.376 2.27 . . . . 0.0 113.804 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.7 -46.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 C-N-CA 126.013 1.725 . . . . 0.0 111.403 166.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -64.14 -37.53 94.69 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 121.286 -0.884 . . . . 0.0 113.691 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.01 -39.73 72.22 Favored 'General case' 0 C--N 1.371 1.504 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -176.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -41.35 72.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 129.25 3.02 . . . . 0.0 111.827 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.31 -58.3 6.91 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.201 2.2 . . . . 0.0 111.96 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.05 -53.42 50.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 116.963 2.208 . . . . 0.0 116.963 165.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 74.8 t -50.45 -58.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.599 0 C-N-CA 125.56 1.544 . . . . 0.0 112.747 172.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 32.4 m -48.66 -43.51 36.78 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.312 -2.117 . . . . 0.0 115.245 166.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 56.8 ttp85 -64.89 -46.03 83.45 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 123.517 1.627 . . . . 0.0 109.607 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -60.37 -37.51 80.95 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.848 1.659 . . . . 0.0 111.53 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.55 -30.04 70.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.404 -2.06 . . . . 0.0 112.026 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 76.7 mt -70.71 -46.3 69.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 118.966 -2.334 . . . . 0.0 111.783 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 39.8 tpt85 -42.36 -46.48 4.65 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 119.158 3.022 . . . . 0.0 119.158 152.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -64.19 -41.92 96.87 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 119.328 -2.108 . . . . 0.0 114.082 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.08 -42.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.894 -1.754 . . . . 0.0 113.695 167.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.46 -55.6 29.83 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.272 2.229 . . . . 0.0 111.632 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.76 71.94 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.947 2.099 . . . . 0.0 113.855 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -66.23 -47.64 73.15 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.677 -1.264 . . . . 0.0 110.87 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.6 69.14 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 174.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.07 -13.28 60.47 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 120.18 -1.575 . . . . 0.0 112.853 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -87.38 -28.61 22.08 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.829 2.051 . . . . 0.0 109.187 170.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -69.22 -29.33 67.26 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 119.42 -2.05 . . . . 0.0 114.283 165.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.55 94.87 10.03 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 123.262 1.506 . . . . 0.0 110.446 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . 0.4 ' HG3' ' H ' ' B' ' 599' ' ' ARG . 65.8 mtp180 -83.89 -28.25 28.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 119.267 -2.146 . . . . 0.0 114.606 178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -81.15 119.05 74.83 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 121.015 -1.053 . . . . 0.0 110.545 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo . . . . . 0 N--CA 1.46 -0.496 0 C-N-CA 122.305 2.003 . . . . 0.0 113.954 -165.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm . . . . . 0 N--CA 1.442 -0.836 0 CA-C-O 122.581 1.181 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.424 ' OD1' ' HE1' ' A' ' 44' ' ' HIS . 74.9 m-20 -101.08 -30.84 11.37 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -164.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.8 mm -66.47 -24.97 34.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 123.882 0.873 . . . . 0.0 112.585 -160.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -52.82 63.81 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.454 1.501 . . . . 0.0 113.392 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 m -72.8 -34.18 66.74 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.259 -1.526 . . . . 0.0 111.981 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.86 -45.15 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.917 -0.489 . . . . 0.0 111.407 166.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -56.32 -43.96 79.49 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 119.709 -1.869 . . . . 0.0 114.856 165.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.08 -62.11 1.87 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.756 1.616 . . . . 0.0 113.082 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -43.39 -48.66 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 128.029 2.532 . . . . 0.0 114.155 172.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.33 -52.18 63.21 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 124.16 0.984 . . . . 0.0 110.492 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 m -61.1 -54.67 41.69 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.802 -1.186 . . . . 0.0 112.801 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.9 -33.33 60.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 O-C-N 120.925 -1.109 . . . . 0.0 112.343 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -28.75 67.84 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.054 -1.654 . . . . 0.0 114.27 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -69.9 -47.37 62.78 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 123.0 1.381 . . . . 0.0 108.1 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -31.79 -66.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 129.09 2.956 . . . . 0.0 115.439 157.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.08 -54.68 9.84 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.177 1.942 . . . . 0.0 112.866 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.59 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 C-N-CA 128.963 2.905 . . . . 0.0 111.49 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' A' ' 75' ' ' GLU . 34.2 mtpt -83.77 -32.23 25.52 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.5 -2.0 . . . . 0.0 113.844 -166.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.41 -67.32 0.59 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.199 1.0 . . . . 0.0 112.032 174.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -104.11 -18.3 14.58 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.6 -0.687 . . . . 0.0 112.234 -162.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 76.71 -175.59 0.11 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 126.021 1.728 . . . . 0.0 115.007 164.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 55.1 mp0 -42.23 -8.11 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 C-N-CA 129.621 3.169 . . . . 0.0 117.518 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.31 -49.43 42.77 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 125.76 1.624 . . . . 0.0 111.558 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.12 -52.85 11.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 O-C-N 119.402 -2.061 . . . . 0.0 109.606 172.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' A' ' 24' ' ' GLU . 72.5 t -36.63 -40.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 130.253 3.421 . . . . 0.0 116.99 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -50.47 -33.21 20.36 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.862 1.265 . . . . 0.0 113.735 175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -89.3 104.78 17.3 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 120.527 -1.358 . . . . 0.0 109.06 -164.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -51.43 -52.59 44.87 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.51 -50.59 69.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.358 1.463 . . . . 0.0 113.607 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -57.77 -41.26 81.64 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.132 2.173 . . . . 0.0 113.461 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.94 -53.14 61.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.798 -1.188 . . . . 0.0 112.603 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.27 -34.96 56.01 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 O-C-N 120.884 -1.135 . . . . 0.0 108.589 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -22.86 15.61 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -35.46 63.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.193 1.397 . . . . 0.0 110.34 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 39' ' ' GLU . 2.8 mp -67.46 -45.72 75.13 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-O 123.098 1.428 . . . . 0.0 109.709 171.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.21 18.77 0.14 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.374 1.47 . . . . 0.0 114.366 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -100.7 -49.96 4.02 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.481 2.312 . . . . 0.0 108.033 176.048 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.7 pt -98.97 2.14 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.928 1.691 . . . . 0.0 109.828 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.37 52.52 12.81 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 124.921 1.248 . . . . 0.0 115.161 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.11 79.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.541 0 CA-C-N 118.522 1.161 . . . . 0.0 109.682 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -97.48 122.29 40.36 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.617 -1.302 . . . . 0.0 113.167 -170.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.424 ' HE1' ' OD1' ' A' ' 4' ' ' ASN . 84.0 t60 -90.59 138.01 31.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.057 -2.277 . . . . 0.0 111.305 170.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 46.92 36.68 4.17 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.554 1.942 . . . . 0.0 113.442 -173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.93 -0.44 72.27 Favored Glycine 0 C--N 1.345 1.032 0 C-N-CA 125.872 1.701 . . . . 0.0 115.427 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -115.58 154.9 28.58 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.481 -1.011 . . . . 0.0 110.4 -171.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -77.48 127.68 32.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.005 -1.685 . . . . 0.0 110.726 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 83.01 5.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.099 -1.626 . . . . 0.0 115.012 -168.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -74.7 171.99 12.92 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.46 -1.4 . . . . 0.0 111.024 167.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -40.93 -46.12 2.72 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 118.051 2.612 . . . . 0.0 118.051 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -47.81 -63.92 0.93 Allowed 'General case' 0 C--N 1.351 0.65 0 C-N-CA 125.95 1.7 . . . . 0.0 115.096 166.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -66.77 -33.22 75.15 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 125.044 1.338 . . . . 0.0 112.104 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -63.58 -51.95 63.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.737 1.615 . . . . 0.0 111.912 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.999 -1.688 . . . . 0.0 112.622 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -53.09 -49.68 65.95 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.053 1.341 . . . . 0.0 113.987 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.66 -25.32 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.82 -1.175 . . . . 0.0 113.628 -173.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.0 t -87.02 -38.03 11.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 128.195 2.598 . . . . 0.0 112.105 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -56.52 -61.45 2.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.876 1.67 . . . . 0.0 115.137 164.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -89.94 72.3 7.48 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.71 135.58 54.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -79.5 152.56 30.14 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.635 1.574 . . . . 0.0 109.993 -170.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.58 -58.6 3.51 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 -165.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.04 -50.74 61.02 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.781 -2.449 . . . . 0.0 113.349 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.318 45.9 m-20 -21.08 -68.37 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 150.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.31 -34.92 71.1 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 119.809 -1.807 . . . . 0.0 114.709 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.95 -37.89 46.56 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 124.972 1.309 . . . . 0.0 109.545 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -52.22 -51.34 58.87 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 127.387 2.275 . . . . 0.0 112.288 163.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.53 -55.99 26.87 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.749 -1.22 . . . . 0.0 113.327 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -45.72 -43.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.284 1.434 . . . . 0.0 113.229 168.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.07 -29.98 69.9 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -81.64 -74.39 0.34 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.17 1.388 . . . . 0.0 109.963 171.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -86.44 82.13 8.07 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.915 2.486 . . . . 0.0 109.309 -175.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.59 -52.51 13.22 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 119.939 -1.725 . . . . 0.0 110.396 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 20' ' ' LYS . 46.6 mt-10 -74.86 -35.27 62.34 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.983 -1.073 . . . . 0.0 110.314 172.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.71 91.78 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 115.146 0.819 . . . . 0.0 115.146 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -68.17 -59.35 3.29 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.185 1.493 . . . . 0.0 111.454 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.84 -30.91 71.85 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 123.587 0.755 . . . . 0.0 111.924 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.03 -57.79 17.96 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.982 1.277 . . . . 0.0 113.586 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.92 -36.46 57.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 120.674 -1.486 . . . . 0.0 113.645 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.59 -65.75 0.52 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -71.17 -30.88 66.97 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -40.21 81.96 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.722 1.146 . . . . 0.0 111.51 172.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.24 -53.47 43.88 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.643 1.577 . . . . 0.0 112.184 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -63.19 -24.2 67.77 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -83.27 -50.68 8.15 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.347 1.459 . . . . 0.0 112.251 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -70.0 -50.45 41.5 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -175.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 p -89.36 97.97 11.5 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.701 1.137 . . . . 0.0 108.364 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -93.59 96.41 9.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.646 -1.283 . . . . 0.0 110.052 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 pttm . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.908 -1.12 . . . . 0.0 112.299 -177.158 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.9 t -53.65 -47.9 60.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 113.101 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.13 -53.12 61.89 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 126.907 2.083 . . . . 0.0 113.717 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.17 -44.08 26.88 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 121.143 -0.973 . . . . 0.0 110.9 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 134.88 -18.64 4.02 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 115.621 1.008 . . . . 0.0 115.621 165.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.71 134.78 34.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.38 1.59 . . . . 0.0 110.278 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 60.7 p -69.63 167.73 16.32 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -48.79 -35.66 14.9 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 126.022 1.729 . . . . 0.0 115.454 158.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -63.52 -48.97 75.38 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 123.466 1.603 . . . . 0.0 111.226 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 128.085 2.554 . . . . 0.0 111.224 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.9 68.57 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.364 1.465 . . . . 0.0 113.573 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.21 -46.51 41.41 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 120.67 -1.269 . . . . 0.0 110.335 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 39.6 t -54.8 -37.85 42.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 119.15 -2.218 . . . . 0.0 113.637 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.85 -53.88 46.36 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.053 1.741 . . . . 0.0 113.455 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -82.92 -3.85 57.49 Favored 'General case' 0 C--N 1.342 0.267 0 O-C-N 120.197 -1.564 . . . . 0.0 114.242 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 64.7 mtm -89.17 -68.22 0.79 Allowed 'General case' 0 C--N 1.351 0.647 0 O-C-N 119.991 -1.693 . . . . 0.0 112.44 167.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -99.98 -36.38 9.4 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.313 -1.492 . . . . 0.0 112.796 -166.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -76.56 -19.24 58.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.869 -1.144 . . . . 0.0 109.312 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.2 30.41 71.78 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 125.362 1.458 . . . . 0.0 115.728 169.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -97.75 123.65 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.06 98.31 10.79 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.312 -0.868 . . . . 0.0 109.317 -170.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptp -118.43 133.29 56.0 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 173.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.2 p30 176.2 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.471 1.487 . . . . 0.0 111.598 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -175.3 5.01 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 120.371 -1.455 . . . . 0.0 109.672 173.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.06 119.1 12.13 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 122.15 0.976 . . . . 0.0 112.194 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -110.86 131.77 54.77 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 3.0 m -71.02 150.33 45.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 124.469 1.108 . . . . 0.0 109.355 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.33 -24.94 61.22 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 119.464 -2.022 . . . . 0.0 114.928 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.09 -48.88 74.46 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.094 -1.629 . . . . 0.0 113.589 163.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.534 1.534 . . . . 0.0 113.782 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.0 t -53.6 -46.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 125.541 1.536 . . . . 0.0 112.182 168.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.28 -44.07 96.78 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.097 -1.002 . . . . 0.0 113.799 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -73.36 -25.13 60.46 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.162 0.982 . . . . 0.0 110.999 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -70.81 -23.99 62.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 119.394 -2.066 . . . . 0.0 112.7 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -74.32 -63.72 1.17 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 125.002 1.321 . . . . 0.0 112.57 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -16.76 -65.3 0.01 OUTLIER 'General case' 0 C--N 1.354 0.791 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 147.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.15 -58.99 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.42 1.488 . . . . 0.0 112.442 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 27.2 m -44.49 -47.49 10.04 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 167.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -69.65 -37.91 76.93 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.46 -2.025 . . . . 0.0 111.84 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -56.76 -49.54 74.96 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.37 1.468 . . . . 0.0 112.199 165.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -55.07 -39.58 69.4 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.11 -38.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 O-C-N 121.013 -1.055 . . . . 0.0 112.164 173.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -73.49 -17.13 61.26 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 121.69 2.041 . . . . 0.0 110.371 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -78.47 -38.13 41.81 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 124.721 1.208 . . . . 0.0 112.256 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 91.6 mt -54.57 -50.11 61.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 120.329 -1.482 . . . . 0.0 112.769 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.42 -55.83 19.1 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 129.624 3.17 . . . . 0.0 112.235 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -45.76 -44.49 13.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.637 1.975 . . . . 0.0 114.693 172.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -81.64 -42.4 20.05 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.139 -0.975 . . . . 0.0 112.387 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.28 76.25 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 125.305 1.442 . . . . 0.0 113.989 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.61 -0.89 16.7 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 171.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -98.35 -25.6 14.77 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 119.888 -1.758 . . . . 0.0 109.208 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -69.93 -23.45 63.21 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 170.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.29 -179.12 6.06 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.308 1.043 . . . . 0.0 110.02 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -164.44 -36.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.2 -0.937 . . . . 0.0 112.828 -164.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -73.69 157.61 87.29 Favored Pre-proline 0 C--N 1.351 0.657 0 O-C-N 120.234 -1.541 . . . . 0.0 111.424 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo . . . . . 0 C--N 1.332 -0.319 0 CA-C-N 122.473 1.919 . . . . 0.0 115.369 179.223 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp . . . . . 0 N--CA 1.43 -1.427 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -67.73 -39.12 84.32 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.056 -2.277 . . . . 0.0 113.575 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 tp -65.74 -35.08 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.05 -46.22 71.88 Favored 'General case' 0 N--CA 1.429 -1.499 1 C-N-CA 131.749 4.02 . . . . 0.0 110.154 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.3 m -78.87 -35.3 44.01 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 127.275 2.23 . . . . 0.0 112.656 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.92 -45.23 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 120.004 -1.685 . . . . 0.0 111.778 169.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -52.16 -37.42 54.49 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 118.872 -2.392 . . . . 0.0 116.766 167.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.95 -51.43 58.63 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.47 -44.73 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.937 2.095 . . . . 0.0 111.678 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.52 -50.49 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.724 -2.485 . . . . 0.0 114.225 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -66.82 -40.95 88.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -167.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.68 -33.58 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.17 66.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.304 -1.498 . . . . 0.0 113.826 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -55.0 -54.57 41.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 113.186 168.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.7 -39.66 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.94 -36.09 79.52 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.872 -1.767 . . . . 0.0 113.4 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 mm -68.71 -29.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 O-C-N 117.587 -3.195 . . . . 0.0 109.937 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -70.61 -53.98 13.79 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.58 -1.325 . . . . 0.0 113.079 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -82.18 -43.95 17.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -110.93 -33.28 6.56 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.383 -2.073 . . . . 0.0 113.61 -176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.26 39.5 mtm180 84.92 -144.35 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.108 2.963 . . . . 0.0 113.976 -174.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.6 -19.84 62.07 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.328 -2.732 . . . . 0.0 116.973 -167.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -54.53 -37.9 65.94 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.178 2.991 . . . . 0.0 115.898 -171.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.8 mt -76.26 -46.49 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 O-C-N 119.611 -1.931 . . . . 0.0 111.387 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -19.57 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.938 -1.727 . . . . 0.0 112.009 -172.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.94 2.496 . . . . 0.0 111.103 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -92.62 140.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.733 1.254 . . . . 0.0 110.515 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.69 -40.14 34.66 Favored 'General case' 0 N--CA 1.43 -1.428 1 O-C-N 116.275 -4.016 . . . . 0.0 111.356 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -58.26 9.37 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.09 -44.16 87.46 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -64.67 -35.08 79.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.19 -43.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.91 -2.369 . . . . 0.0 110.187 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.06 -42.14 27.76 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.676 2.39 . . . . 0.0 115.851 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.12 -50.26 74.73 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.985 1.314 . . . . 0.0 114.453 171.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.69 -39.5 91.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.517 1.627 . . . . 0.0 114.04 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -33.81 71.63 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.917 -1.114 . . . . 0.0 113.821 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -54.41 -58.48 7.28 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.71 -1.869 . . . . 0.0 115.123 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 pt -75.68 -28.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.801 -1.812 . . . . 0.0 113.106 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.91 65.72 1.09 Allowed Glycine 0 N--CA 1.43 -1.712 0 CA-C-N 120.578 1.535 . . . . 0.0 113.284 165.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.2 148.21 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 166.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -156.42 142.42 18.05 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -136.95 128.81 29.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.858 2.063 . . . . 0.0 107.61 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 52.36 32.09 10.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.047 2.539 . . . . 0.0 117.152 -170.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.44 -10.54 66.5 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 118.407 -2.683 . . . . 0.0 112.103 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -102.44 128.59 48.98 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 124.206 1.955 . . . . 0.0 112.292 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -79.08 135.14 36.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 118.459 -2.65 . . . . 0.0 113.154 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.472 0.0 OUTLIER -75.52 96.83 3.57 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 -166.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -77.9 177.48 8.2 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.42 -1.425 . . . . 0.0 110.851 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -33.4 -54.55 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 130.952 3.701 . . . . 0.0 115.654 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -61.43 -50.46 72.72 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.783 2.033 . . . . 0.0 114.0 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -70.97 -32.81 69.78 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.691 2.396 . . . . 0.0 110.891 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.23 -54.44 44.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.413 2.285 . . . . 0.0 110.175 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -67.33 -26.75 66.66 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.895 1.678 . . . . 0.0 113.854 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.36 -67.33 0.46 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.765 1.226 . . . . 0.0 111.095 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.2 tt -66.16 -32.21 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -167.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.91 -18.55 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.258 -1.527 . . . . 0.0 112.585 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -99.53 -45.17 5.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.71 -10.77 60.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.937 2.94 . . . . 0.0 118.937 -171.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.24 159.83 30.44 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . 0.255 20.5 p -76.38 174.84 9.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.313 -2.117 . . . . 0.0 114.141 -166.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.14 -49.67 66.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.602 3.161 . . . . 0.0 112.999 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -73.8 -39.67 63.96 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.341 2.256 . . . . 0.0 111.968 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -51.0 -58.76 5.23 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.34 -36.26 78.99 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.939 -1.725 . . . . 0.0 109.526 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -59.9 -45.32 92.92 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.02 -1.675 . . . . 0.0 113.901 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.5 m -56.02 -45.45 79.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 124.726 2.203 . . . . 0.0 113.278 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.84 -43.61 83.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.327 -2.108 . . . . 0.0 111.98 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.42 -52.74 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 124.644 1.178 . . . . 0.0 112.999 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -63.52 -20.58 65.73 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -89.09 -64.76 1.1 Allowed 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.409 1.084 . . . . 0.0 112.351 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -118.58 96.92 5.49 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.991 -1.693 . . . . 0.0 107.98 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.75 -56.0 9.47 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.568 1.147 . . . . 0.0 111.769 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.23 -35.44 80.34 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.994 -1.691 . . . . 0.0 113.836 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.71 -52.95 49.28 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 125.807 1.67 . . . . 0.0 113.751 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -60.89 -60.83 3.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.826 -1.985 . . . . 0.0 113.267 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.67 -40.1 59.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -52.3 27.8 Favored Glycine 0 N--CA 1.429 -1.785 0 C-N-CA 125.586 1.565 . . . . 0.0 111.917 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.5 t -59.63 -46.67 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 125.666 1.587 . . . . 0.0 111.038 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -54.12 -50.13 67.6 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.837 1.655 . . . . 0.0 114.892 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -67.44 -41.84 84.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.48 -29.73 65.16 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.616 -1.302 . . . . 0.0 112.875 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.3 mt -54.93 -50.67 68.28 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.535 -2.603 . . . . 0.0 113.288 166.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -74.71 -28.27 60.73 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.267 -2.146 . . . . 0.0 113.366 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.8 tpp -68.27 -53.35 25.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.758 1.266 . . . . 0.0 112.313 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -108.17 -44.81 4.07 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.106 -2.246 . . . . 0.0 112.795 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.2 m -89.33 96.98 10.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.899 -1.751 . . . . 0.0 111.339 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.35 163.35 12.9 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.496 3.147 . . . . 0.0 119.496 -165.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 N--CA 1.43 -1.468 0 O-C-N 120.161 -1.587 . . . . 0.0 111.058 -178.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 120.611 0.243 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 79.9 t -70.21 -36.1 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 111.952 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 84.5 mt -72.23 -49.43 35.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.359 -1.463 . . . . 0.0 111.3 172.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.26 -59.63 3.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -175.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.66 -24.7 9.47 Favored Glycine 0 N--CA 1.43 -1.715 0 C-N-CA 123.836 0.731 . . . . 0.0 111.389 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.55 142.01 36.12 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 166.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.37 162.66 14.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.652 -1.28 . . . . 0.0 111.381 175.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.84 -22.3 14.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.569 -2.582 . . . . 0.0 115.746 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -76.46 -27.04 55.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -78.17 -35.88 48.18 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.61 -2.556 . . . . 0.0 106.366 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.47 74.52 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 167.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.62 -47.2 80.17 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 124.614 2.149 . . . . 0.0 113.416 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.54 -40.55 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 117.554 -3.216 . . . . 0.0 114.445 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.5 -32.91 69.25 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -81.77 -45.78 15.15 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.067 -1.646 . . . . 0.0 115.213 170.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 60.2 mtm -60.25 -52.9 63.32 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.983 -1.698 . . . . 0.0 114.078 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -104.14 -55.93 2.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.74 -40.28 95.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 127.105 2.162 . . . . 0.0 110.73 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.26 54.28 2.31 Favored Glycine 0 N--CA 1.43 -1.764 0 C-N-CA 126.071 1.796 . . . . 0.0 111.493 165.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.6 mt -119.71 134.42 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.05 104.23 14.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 123.343 0.657 . . . . 0.0 110.13 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -141.04 67.43 1.35 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.47 -1.394 . . . . 0.0 110.442 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.7 -3.51 17.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.13 -2.856 . . . . 0.0 116.243 -171.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . 0.263 4.4 m -97.41 -107.48 0.17 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 122.291 1.043 . . . . 0.0 113.528 -165.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -110.72 150.12 29.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.61 -1.931 . . . . 0.0 110.6 -173.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -136.27 139.69 42.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.586 -1.946 . . . . 0.0 108.514 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 33.0 p -104.11 179.08 4.37 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.495 1.918 . . . . 0.0 109.195 156.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.31 -45.11 89.34 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.703 -1.873 . . . . 0.0 110.163 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.58 -47.7 76.01 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 171.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.09 -32.52 74.26 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.792 -1.817 . . . . 0.0 114.146 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.18 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.686 2.494 . . . . 0.0 111.826 166.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.85 -35.96 91.53 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.876 -2.39 . . . . 0.0 113.929 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.93 -54.73 41.45 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.425 -2.22 . . . . 0.0 113.208 173.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.65 -28.13 69.7 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.21 -59.08 5.64 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.749 -1.844 . . . . 0.0 111.285 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.79 -30.72 71.74 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.06 -51.2 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 168.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 81.1 m -59.56 -44.04 93.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.438 1.895 . . . . 0.0 112.05 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -55.77 -46.67 77.86 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.403 1.881 . . . . 0.0 114.52 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.59 -30.72 68.55 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.092 -2.88 . . . . 0.0 114.69 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -64.52 -37.75 88.63 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.458 1.123 . . . . 0.0 111.676 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.17 -47.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 124.836 1.254 . . . . 0.0 112.403 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.84 -28.66 64.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -62.74 -40.63 97.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.224 -1.547 . . . . 0.0 112.231 165.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.38 -49.37 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 119.301 -2.124 . . . . 0.0 111.284 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -53.77 -51.42 63.47 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.802 2.441 . . . . 0.0 115.213 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -48.92 -56.04 10.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.603 1.961 . . . . 0.0 114.119 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -64.5 -42.72 95.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.998 1.319 . . . . 0.0 113.764 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.49 88.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.33 -37.06 82.69 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.05 1.74 . . . . 0.0 112.262 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -65.86 -38.82 89.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 117.621 -3.174 . . . . 0.0 114.042 169.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -68.28 -31.72 71.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.864 2.066 . . . . 0.0 116.025 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.28 95.57 5.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.437 -2.039 . . . . 0.0 111.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -74.8 -3.72 33.45 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 118.012 2.597 . . . . 0.0 118.012 -161.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.99 138.84 21.63 Favored Pre-proline 0 N--CA 1.431 -1.418 0 CA-C-O 115.99 -1.957 . . . . 0.0 106.216 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.434 -1.994 0 C-N-CA 124.177 3.251 . . . . 0.0 109.768 -158.11 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp . . . . . 0 N--CA 1.445 -0.715 0 CA-C-O 122.149 0.976 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -74.31 -41.72 60.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.752 -1.217 . . . . 0.0 111.038 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.45 -22.39 27.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 124.789 1.235 . . . . 0.0 114.275 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.64 -50.61 72.58 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 126.499 1.92 . . . . 0.0 111.345 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 m -65.88 -43.1 89.33 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.506 -1.371 . . . . 0.0 112.095 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.39 -48.52 56.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 C-N-CA 123.377 0.671 . . . . 0.0 112.407 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -50.4 -44.29 54.97 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.457 -1.402 . . . . 0.0 114.654 169.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.75 -59.6 5.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.624 -1.297 . . . . 0.0 113.223 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.14 -47.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 126.36 1.864 . . . . 0.0 112.768 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.1 -42.11 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 O-C-N 121.358 -0.839 . . . . 0.0 111.488 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 m -53.7 -52.34 60.39 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.56 -1.337 . . . . 0.0 113.08 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.73 -31.08 40.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 O-C-N 120.364 -1.46 . . . . 0.0 112.695 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.71 64.32 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 119.871 -1.768 . . . . 0.0 112.892 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.9 m -72.98 -51.32 18.79 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.748 1.737 . . . . 0.0 107.33 -172.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.6 mt -33.28 -56.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 128.815 2.846 . . . . 0.0 115.592 159.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -47.2 -50.23 21.24 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-O 123.226 1.489 . . . . 0.0 112.915 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.03 -53.52 33.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 128.433 2.693 . . . . 0.0 110.375 -178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -66.71 -42.36 86.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 123.933 1.825 . . . . 0.0 112.52 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.93 -58.59 2.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 113.255 -1.793 . . . . 0.0 110.821 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -100.63 1.26 40.52 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.034 -1.041 . . . . 0.0 112.474 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.289 1.1 tpp180 64.34 -123.43 0.48 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 125.116 1.366 . . . . 0.0 112.136 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.4 -2.22 31.41 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.925 2.148 . . . . 0.0 113.093 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -42.26 -68.97 0.15 Allowed 'General case' 0 C--N 1.35 0.602 0 C-N-CA 128.13 2.572 . . . . 0.0 116.457 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.5 pt -87.31 -23.34 6.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 O-C-N 120.169 -1.582 . . . . 0.0 111.824 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t -61.3 -51.36 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 128.819 2.847 . . . . 0.0 113.56 170.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -55.23 -59.25 5.05 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.496 1.519 . . . . 0.0 113.443 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 102.87 1.93 Allowed 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.854 1.662 . . . . 0.0 110.61 -169.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -55.11 -56.57 18.38 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -159.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -40.08 67.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.259 1.423 . . . . 0.0 114.102 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -56.69 -41.63 77.69 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.333 1.453 . . . . 0.0 114.094 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -62.1 -63.88 1.11 Allowed 'General case' 0 CA--C 1.555 1.163 0 O-C-N 119.479 -2.013 . . . . 0.0 114.045 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 mt -27.52 -67.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 128.595 2.758 . . . . 0.0 114.99 144.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.2 -28.89 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 118.303 -2.748 . . . . 0.0 116.214 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.03 -39.32 75.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.717 1.607 . . . . 0.0 111.309 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.41 -46.2 80.95 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-O 122.877 1.322 . . . . 0.0 112.474 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.29 -46.25 91.1 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.428 -1.42 . . . . 0.0 113.077 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -33.17 -56.71 0.4 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.606 2.362 . . . . 0.0 115.826 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.52 -7.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 O-C-N 121.798 -0.564 . . . . 0.0 111.973 -173.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.19 66.12 1.64 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 120.311 -1.493 . . . . 0.0 115.025 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -101.42 112.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 167.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.1 p -113.18 170.06 8.49 Favored 'General case' 0 C--N 1.368 1.39 0 CA-C-O 122.811 1.291 . . . . 0.0 112.011 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -137.53 140.02 40.84 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 48.26 35.03 5.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.436 1.894 . . . . 0.0 113.469 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.22 -2.47 86.98 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.879 1.705 . . . . 0.0 115.339 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -110.81 132.21 54.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.867 1.667 . . . . 0.0 109.612 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.43 125.55 29.51 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.316 -1.49 . . . . 0.0 108.975 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -75.47 105.9 6.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 123.937 1.827 . . . . 0.0 115.836 -161.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -75.53 -177.1 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.368 -1.458 . . . . 0.0 112.954 168.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -55.64 -41.11 73.11 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.35 1.46 . . . . 0.0 114.76 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -53.23 -63.58 1.1 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.226 2.21 . . . . 0.0 111.787 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -59.24 -43.7 92.38 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.907 -1.121 . . . . 0.0 113.454 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -53.37 -52.54 58.94 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.352 1.861 . . . . 0.0 113.603 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -80.29 -28.7 38.23 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.687 -1.258 . . . . 0.0 112.48 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.66 -41.23 84.11 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.115 -1.615 . . . . 0.0 114.223 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.1 tt -67.4 -37.47 79.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 O-C-N 119.859 -1.776 . . . . 0.0 112.726 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.19 -40.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 C-N-CA 128.647 2.779 . . . . 0.0 113.475 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -93.52 -19.64 21.02 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 119.283 -2.136 . . . . 0.0 114.238 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.72 21.15 11.79 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 122.641 2.473 . . . . 0.0 111.981 162.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.17 138.6 58.52 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.791 1.636 . . . . 0.0 113.056 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.0 m -75.35 143.02 43.07 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.319 1.448 . . . . 0.0 112.383 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.56 -51.12 62.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.363 -2.085 . . . . 0.0 116.312 -168.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.15 -34.46 76.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 119.402 -2.062 . . . . 0.0 114.314 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 17.3 m-20 -55.38 -54.54 42.37 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.723 1.609 . . . . 0.0 114.339 171.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -61.72 -39.81 92.85 Favored 'General case' 0 C--N 1.369 1.438 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.827 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 49.4 tptt -71.68 -32.52 67.93 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 121.534 -0.729 . . . . 0.0 110.89 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 m -56.73 -39.27 73.65 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.436 -1.415 . . . . 0.0 112.922 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.96 -55.05 14.17 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.8 -1.813 . . . . 0.0 112.191 169.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.424 ' HB ' ' HA ' ' A' ' 67' ' ' LYS . 13.3 mm -45.96 -54.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 127.057 2.143 . . . . 0.0 112.321 175.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.24 -19.46 65.98 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.716 -1.24 . . . . 0.0 113.323 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -87.37 -64.04 1.21 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.883 -1.136 . . . . 0.0 111.118 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -98.97 84.36 3.06 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 126.639 1.975 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -67.53 -51.69 47.85 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.914 -1.117 . . . . 0.0 113.412 -174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.05 -41.63 12.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.736 1.214 . . . . 0.0 109.981 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.12 -47.47 89.65 Favored Glycine 0 C--N 1.351 1.396 0 C-N-CA 125.218 1.39 . . . . 0.0 115.02 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 -55.05 5.73 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.5 -1.588 . . . . 0.0 111.521 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -59.12 -42.67 91.14 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 125.534 1.534 . . . . 0.0 112.016 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.14 -22.81 71.05 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 124.873 1.225 . . . . 0.0 115.199 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.3 t -88.48 -52.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 121.331 2.565 . . . . 0.0 111.038 172.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.05 -24.23 61.49 Favored 'General case' 0 C--N 1.362 1.142 0 O-C-N 119.88 -1.762 . . . . 0.0 113.48 -166.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -75.4 -35.31 61.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.15 -0.969 . . . . 0.0 111.553 170.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -67.34 -37.31 83.05 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.665 -1.272 . . . . 0.0 111.266 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.3 tt -49.18 -54.02 18.45 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.86 1.264 . . . . 0.0 112.74 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -79.66 -22.1 43.93 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.0 mtp -66.0 -33.54 76.04 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.987 -1.695 . . . . 0.0 111.795 167.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -74.78 -55.62 5.65 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.125 -0.984 . . . . 0.0 113.002 170.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -100.81 95.95 6.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.316 1.417 . . . . 0.0 111.857 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -85.71 118.44 25.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.836 1.254 . . . . 0.0 111.301 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 C--N 1.348 0.528 0 O-C-N 120.028 -1.67 . . . . 0.0 112.03 177.694 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 59.3 t -52.76 -41.9 40.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 168.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.43 -47.75 84.27 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.364 -1.46 . . . . 0.0 114.848 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -82.27 -31.23 30.2 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.611 0.764 . . . . 0.0 112.031 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.98 -32.97 2.15 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 120.732 -1.23 . . . . 0.0 112.238 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.14 108.92 19.12 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.305 1.526 . . . . 0.0 113.858 -162.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 170.51 16.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 119.011 -2.305 . . . . 0.0 111.815 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -43.31 -29.16 0.39 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 128.066 2.546 . . . . 0.0 117.462 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -75.89 -52.04 11.18 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 124.373 2.035 . . . . 0.0 111.041 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.08 -47.75 84.1 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 129.654 3.181 . . . . 0.0 112.123 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.98 78.5 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 125.049 1.34 . . . . 0.0 113.562 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -66.49 -49.15 67.56 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.643 0.777 . . . . 0.0 110.136 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.48 -44.86 85.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 122.347 1.07 . . . . 0.0 112.131 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.14 -66.17 0.45 Allowed 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.553 2.341 . . . . 0.0 112.221 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -81.75 -2.1 49.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.569 -1.957 . . . . 0.0 114.524 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 87.9 mmm -86.26 -56.41 3.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.752 1.16 . . . . 0.0 112.395 163.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -94.08 -50.3 5.37 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.209 1.004 . . . . 0.0 112.56 -167.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.49 -38.59 74.37 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.913 0.885 . . . . 0.0 110.129 -175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 92.48 15.18 54.08 Favored Glycine 0 C--N 1.348 1.2 0 N-CA-C 118.392 2.117 . . . . 0.0 118.392 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 32.8 mt -92.97 126.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 119.382 1.591 . . . . 0.0 107.438 162.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -89.88 111.89 23.07 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.299 1.04 . . . . 0.0 110.912 -170.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -133.55 65.33 1.59 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.543 1.137 . . . . 0.0 112.844 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -23.91 9.84 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.325 1.45 . . . . 0.0 108.863 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.1 t -87.63 -174.37 4.75 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 120.436 -1.415 . . . . 0.0 110.575 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.79 112.16 1.93 Allowed 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.644 1.578 . . . . 0.0 112.911 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.38 121.68 44.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 38.4 p -72.71 158.63 35.24 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 120.615 -1.303 . . . . 0.0 110.229 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.59 -19.6 65.81 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.178 -2.201 . . . . 0.0 112.98 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -55.2 -47.77 74.81 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.221 1.809 . . . . 0.0 114.988 157.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.3 -26.45 55.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.726 2.41 . . . . 0.0 113.703 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.03 -43.07 96.1 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-O 122.883 1.325 . . . . 0.0 110.774 164.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.04 -50.54 66.37 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 120.482 -1.386 . . . . 0.0 112.648 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -66.24 -24.79 66.65 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.547 -0.973 . . . . 0.0 112.471 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.99 -20.31 56.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.509 -1.995 . . . . 0.0 113.249 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -20.74 59.83 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.197 -2.19 . . . . 0.0 114.051 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -70.06 -67.54 0.48 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.564 2.745 . . . . 0.0 116.545 148.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.27 84.4 t -64.05 -53.3 45.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -163.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 24.9 m -42.26 -47.73 4.82 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -58.15 -45.32 87.59 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 118.799 -2.438 . . . . 0.0 113.845 173.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -50.67 -56.48 11.72 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.602 0.715 . . . . 0.0 111.881 168.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -54.18 -45.78 72.2 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.795 -1.191 . . . . 0.0 113.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.68 -38.69 73.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.721 1.608 . . . . 0.0 110.364 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.4 -12.72 60.91 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 119.378 -2.076 . . . . 0.0 112.237 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -89.64 -26.97 20.46 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.976 1.71 . . . . 0.0 112.915 169.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.56 -50.88 78.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 120.538 -1.351 . . . . 0.0 112.014 162.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.16 -52.99 56.98 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 129.273 3.029 . . . . 0.0 111.506 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -35.75 -50.75 0.65 Allowed 'General case' 0 C--N 1.349 0.578 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 166.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -74.44 -53.83 8.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.925 -1.109 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.44 73.35 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 126.801 2.041 . . . . 0.0 113.634 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 48.4 mt -61.12 -43.72 98.44 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -74.92 -26.11 59.4 Favored 'General case' 0 C--N 1.366 1.307 0 O-C-N 119.532 -1.98 . . . . 0.0 111.224 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -60.54 -23.52 64.67 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.516 1.526 . . . . 0.0 113.893 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.8 mt -81.9 91.11 6.5 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.607 -1.308 . . . . 0.0 111.285 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -83.1 -12.87 56.67 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.986 -1.696 . . . . 0.0 114.002 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.09 110.93 12.48 Favored Pre-proline 0 C--N 1.352 0.699 0 O-C-N 120.017 -1.677 . . . . 0.0 107.664 160.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo . . . . . 0 N--CA 1.458 -0.587 0 C-N-CA 122.606 2.204 . . . . 0.0 112.856 -156.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.9 tptm . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.294 0.568 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -49.29 -25.64 2.51 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.34 -24.07 34.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.858 1.263 . . . . 0.0 111.88 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.28 -51.74 68.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.408 -1.433 . . . . 0.0 112.325 168.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -55.79 -47.17 77.56 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.441 -1.412 . . . . 0.0 111.728 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -54.04 -52.53 35.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 125.342 1.457 . . . . 0.0 111.848 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -53.62 -47.51 70.2 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.41 1.884 . . . . 0.0 114.371 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.26 -57.42 12.3 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.103 1.361 . . . . 0.0 113.695 170.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -49.91 -49.34 21.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 126.467 1.907 . . . . 0.0 114.405 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.266 10.8 pt -64.0 -38.53 82.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -67.04 -54.66 19.46 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.083 0.953 . . . . 0.0 112.309 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.1 -27.43 29.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 O-C-N 120.208 -1.557 . . . . 0.0 112.501 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.7 -19.8 60.11 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.792 -1.192 . . . . 0.0 113.525 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -72.9 -47.39 46.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 124.276 1.989 . . . . 0.0 106.965 -168.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.9 mt -31.62 -59.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 130.934 3.694 . . . . 0.0 114.952 158.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.4 mt -50.34 -50.01 52.3 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.245 1.022 . . . . 0.0 112.623 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.1 -56.24 18.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 111.972 -2.376 . . . . 0.0 111.15 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.83 -34.67 71.92 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 118.283 -2.761 . . . . 0.0 112.1 -167.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.12 -59.97 2.24 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 125.458 1.503 . . . . 0.0 112.994 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.8 p -105.3 -8.1 18.48 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.524 -1.36 . . . . 0.0 114.104 -172.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.449 15.4 mtp85 71.55 -124.91 0.07 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.032 1.333 . . . . 0.0 113.3 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -109.5 1.18 19.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 119.779 -1.826 . . . . 0.0 114.148 -163.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.12 -44.86 52.26 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.3 mt -77.66 -48.53 23.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 O-C-N 120.505 -1.372 . . . . 0.0 109.836 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -39.91 -46.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.568 0 C-N-CA 129.42 3.088 . . . . 0.0 115.513 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -47.3 -34.77 7.1 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 175.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -93.57 115.07 27.55 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -167.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.06 68.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 O-C-N 121.054 -1.028 . . . . 0.0 113.749 -167.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -50.68 11.01 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 120.451 -1.406 . . . . 0.0 112.315 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -35.01 78.49 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.475 1.51 . . . . 0.0 112.31 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.11 -58.0 10.41 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 mt -70.06 -37.68 72.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 119.986 -1.696 . . . . 0.0 110.295 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.97 -21.54 12.16 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 127.189 2.196 . . . . 0.0 116.637 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -26.16 56.92 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.512 -0.742 . . . . 0.0 110.676 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 39' ' ' GLU . 6.2 mp -78.26 -44.49 25.38 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.525 -1.36 . . . . 0.0 109.871 175.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -72.2 7.23 1.79 Allowed 'General case' 0 C--N 1.347 0.496 0 O-C-N 119.516 -1.99 . . . . 0.0 113.984 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -87.0 -50.9 6.34 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 123.023 1.392 . . . . 0.0 110.01 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.52 -4.58 10.04 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.352 1.061 . . . . 0.0 110.731 -175.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.68 53.11 1.86 Allowed Glycine 0 C--N 1.35 1.351 0 N-CA-C 117.427 1.731 . . . . 0.0 117.427 169.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.86 110.71 22.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 CA-C-N 119.67 1.735 . . . . 0.0 108.559 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -124.26 -179.81 4.6 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.321 -1.487 . . . . 0.0 108.693 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -163.48 130.99 3.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.925 -1.11 . . . . 0.0 108.74 164.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.453 44.2 mt-10 74.94 7.85 4.21 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 122.065 2.211 . . . . 0.0 113.595 175.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.19 -11.62 37.04 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 126.185 1.85 . . . . 0.0 114.121 170.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -96.0 142.89 27.67 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.913 -1.345 . . . . 0.0 111.558 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -72.0 125.5 27.39 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 161.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.52 82.58 0.1 Allowed 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -86.71 -163.86 0.97 Allowed 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.387 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.44 -30.3 67.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.226 -1.546 . . . . 0.0 113.129 -167.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -51.99 -61.45 2.25 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.237 1.415 . . . . 0.0 113.403 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -45.64 89.86 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -56.91 11.54 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -77.76 -33.71 52.67 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.983 -1.073 . . . . 0.0 111.113 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HZ1' ' CD ' ' A' ' 60' ' ' GLU . 61.8 tttp -51.87 -52.58 48.6 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 176.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.9 pt -67.12 -37.36 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.649 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -172.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.28 -34.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 C-N-CA 128.885 2.874 . . . . 0.0 112.942 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -76.84 -43.03 37.85 Favored 'General case' 0 C--N 1.344 0.332 0 O-C-N 119.171 -2.206 . . . . 0.0 113.919 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' CD ' ' HZ1' ' A' ' 56' ' ' LYS . 56.3 mt-10 -90.14 15.9 9.43 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 123.989 3.086 . . . . 0.0 110.684 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -69.31 144.52 53.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.111 1.365 . . . . 0.0 111.469 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.43 167.93 18.87 Favored 'General case' 0 C--O 1.222 -0.369 0 O-C-N 120.582 -1.324 . . . . 0.0 109.569 -173.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -50.25 72.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 119.75 -1.844 . . . . 0.0 114.202 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.14 -45.59 73.19 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.573 -1.329 . . . . 0.0 114.332 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -33.23 -64.69 0.19 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 128.757 2.823 . . . . 0.0 116.011 166.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.265 4.9 ptmm? -67.53 -44.56 78.03 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.018 -1.051 . . . . 0.0 113.589 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -63.63 -39.2 93.75 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 122.786 0.435 . . . . 0.0 110.668 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -49.92 -49.16 50.89 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.811 1.245 . . . . 0.0 114.235 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.3 mt -74.22 -39.72 62.91 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.73 -1.856 . . . . 0.0 112.467 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -48.66 -46.85 15.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 126.134 1.774 . . . . 0.0 112.225 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.21 -50.99 42.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.978 1.311 . . . . 0.0 114.306 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -74.65 -49.93 19.57 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -129.26 78.89 1.88 Allowed 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.67 1.188 . . . . 0.0 109.3 -170.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -33.78 71.25 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.368 -1.458 . . . . 0.0 112.312 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.35 -30.48 62.03 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.367 -1.458 . . . . 0.0 110.827 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -62.0 3.65 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.791 0.71 . . . . 0.0 112.404 173.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -74.82 -62.72 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 120.76 -1.435 . . . . 0.0 113.36 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.02 -39.79 83.05 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.571 -1.331 . . . . 0.0 111.149 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.27 -48.06 54.52 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.102 1.334 . . . . 0.0 114.305 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.2 t -81.44 -53.52 12.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.248 -1.736 . . . . 0.0 114.371 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.283 0.1 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.367 1.33 0 O-C-N 118.597 -2.565 . . . . 0.0 115.765 -161.175 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -77.92 -31.4 51.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 119.998 -1.689 . . . . 0.0 111.03 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -68.53 -35.95 78.16 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 111.979 167.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.0 -53.82 47.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.057 1.743 . . . . 0.0 113.27 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.85 -26.47 59.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.89 -1.131 . . . . 0.0 113.412 176.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 66.1 ttp -67.2 -53.32 31.37 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.15 -1.594 . . . . 0.0 112.494 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -75.24 -54.95 6.23 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.139 -0.976 . . . . 0.0 111.286 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -80.11 91.42 5.52 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 124.0 1.857 . . . . 0.0 108.72 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -106.84 154.02 21.63 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 119.883 -1.761 . . . . 0.0 106.802 -168.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-N 121.917 2.144 . . . . 0.0 111.695 172.084 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.01 -43.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 127.881 2.473 . . . . 0.0 112.281 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.89 -51.56 68.6 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.0 -36.5 48.77 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.537 -1.352 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 133.44 -25.35 3.63 Favored Glycine 0 CA--C 1.492 -1.38 0 O-C-N 121.656 -0.653 . . . . 0.0 112.782 164.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.49 128.35 35.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 123.377 1.56 . . . . 0.0 113.722 -173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.6 t -77.26 166.76 22.77 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-O 122.525 1.155 . . . . 0.0 111.469 -175.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.71 -33.54 66.57 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.318 -1.489 . . . . 0.0 113.387 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -66.67 -35.62 80.59 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.833 2.053 . . . . 0.0 112.01 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.1 -42.52 66.01 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.52 1.528 . . . . 0.0 109.809 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.29 73.96 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.982 -1.074 . . . . 0.0 112.895 173.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -52.68 -60.67 2.96 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.389 1.476 . . . . 0.0 113.9 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.26 -25.26 36.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 120.112 -1.617 . . . . 0.0 114.474 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.2 -45.12 81.86 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 124.168 0.987 . . . . 0.0 110.564 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.5 -31.56 68.7 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 167.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 98.2 mmm -68.88 -64.47 0.86 Allowed 'General case' 0 C--N 1.353 0.725 0 O-C-N 117.686 -3.134 . . . . 0.0 114.03 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -95.58 -33.51 12.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -165.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -90.62 -24.14 20.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.894 -1.129 . . . . 0.0 112.727 -167.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 96.06 12.22 52.82 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 121.438 -0.789 . . . . 0.0 114.836 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.4 114.57 47.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 118.822 1.311 . . . . 0.0 108.27 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -84.6 102.5 12.96 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.812 -1.18 . . . . 0.0 110.488 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 40.5 mtt -97.92 61.51 1.54 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 119.232 -2.168 . . . . 0.0 109.406 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -122.49 -45.48 2.19 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 121.122 -0.987 . . . . 0.0 110.735 -173.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 18.5 p -77.25 165.97 23.8 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.986 1.314 . . . . 0.0 110.169 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -45.96 135.59 7.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 129.089 2.956 . . . . 0.0 116.868 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -133.45 160.04 38.57 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 122.521 1.153 . . . . 0.0 110.561 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -134.65 153.51 51.95 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 107.685 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.58 -38.12 52.95 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -170.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -73.18 -37.58 66.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.343 -1.473 . . . . 0.0 111.502 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -68.41 -41.79 79.93 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 127.464 2.305 . . . . 0.0 113.392 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.79 -50.18 24.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 C-N-CA 125.339 1.456 . . . . 0.0 112.264 164.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.92 -41.01 97.62 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 123.921 0.772 . . . . 0.0 113.414 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -73.3 -33.23 65.07 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 122.73 1.252 . . . . 0.0 109.524 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -76.89 -12.0 59.9 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.592 -1.317 . . . . 0.0 113.139 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -74.98 -60.08 2.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.954 1.702 . . . . 0.0 109.519 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -31.37 -68.91 0.08 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 128.172 2.589 . . . . 0.0 115.86 153.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 71.8 t -48.99 -60.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 125.418 1.487 . . . . 0.0 113.706 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -17.61 64.97 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -66.66 -39.07 88.03 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 119.927 -1.733 . . . . 0.0 109.161 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -61.09 -48.23 82.67 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.942 167.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.87 -38.97 73.49 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 120.899 1.681 . . . . 0.0 111.979 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.49 -43.07 86.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.31 -1.494 . . . . 0.0 112.438 171.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -71.94 -17.56 62.07 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 123.636 2.925 . . . . 0.0 110.676 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -76.53 -32.01 57.99 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.707 -1.246 . . . . 0.0 112.584 169.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.04 -49.92 81.56 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.882 1.673 . . . . 0.0 111.948 162.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -51.93 -55.45 20.18 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.43 -51.12 15.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.588 1.955 . . . . 0.0 114.838 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.73 -24.09 56.13 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.011 -1.68 . . . . 0.0 112.168 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -80.32 -36.09 34.74 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.11 0.964 . . . . 0.0 110.802 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.11 -1.05 18.52 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 170.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.13 -43.13 6.43 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.567 . . . . 0.0 109.679 171.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -66.03 -35.98 82.02 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.62 -1.3 . . . . 0.0 112.776 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.59 150.31 41.51 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.038 1.399 . . . . 0.0 108.135 165.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.35 -26.09 0.1 Allowed 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 121.103 -0.998 . . . . 0.0 111.598 -148.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -88.0 119.63 70.49 Favored Pre-proline 0 C--N 1.352 0.69 0 O-C-N 120.215 -1.553 . . . . 0.0 107.979 156.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 N--CA 1.461 -0.383 0 CA-C-N 122.786 2.031 . . . . 0.0 116.022 -171.288 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 mttp . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 122.066 0.936 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -93.22 -21.78 19.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.871 -1.143 . . . . 0.0 110.137 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 tp -65.18 -21.57 29.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.85 -48.41 76.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 120.067 -1.646 . . . . 0.0 113.421 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 m -68.91 -41.81 77.68 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.838 -1.163 . . . . 0.0 110.74 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.265 10.7 t -57.11 -43.88 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 120.67 -1.268 . . . . 0.0 113.254 173.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -51.79 -46.7 64.29 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 118.963 -2.335 . . . . 0.0 115.11 166.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.67 -56.16 23.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.722 1.609 . . . . 0.0 112.487 170.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.57 -51.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 127.926 2.49 . . . . 0.0 114.269 168.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.22 -46.41 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 C-N-CA 124.252 1.021 . . . . 0.0 110.775 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 m -59.16 -46.7 87.69 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.355 -0.84 . . . . 0.0 113.068 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -78.51 -27.66 14.26 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 O-C-N 120.252 -1.53 . . . . 0.0 114.041 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -20.68 60.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.0 -2.313 . . . . 0.0 111.743 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -72.26 -52.74 14.96 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 123.785 1.755 . . . . 0.0 108.22 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -26.74 -60.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 130.947 3.699 . . . . 0.0 115.371 159.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.42 -36.54 69.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.54 1.136 . . . . 0.0 113.442 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -74.81 -55.63 11.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 125.504 1.522 . . . . 0.0 110.136 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -63.58 -34.62 78.21 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.397 -2.065 . . . . 0.0 112.075 -166.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -79.74 -58.32 3.24 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 126.258 1.823 . . . . 0.0 112.08 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -116.32 -1.54 12.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 120.426 -1.421 . . . . 0.0 113.318 -164.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 52.85 -106.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.157 1.783 . . . . 0.0 113.317 -171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.69 4.99 38.74 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.393 -1.442 . . . . 0.0 112.909 -171.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.99 -44.59 72.55 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 118.375 -2.703 . . . . 0.0 115.998 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -30.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 120.103 -1.623 . . . . 0.0 110.799 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -43.89 -53.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 164.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.71 -27.38 58.96 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -162.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -101.26 123.37 45.27 Favored 'General case' 0 N--CA 1.439 -0.986 0 O-C-N 119.195 -2.191 . . . . 0.0 105.364 -171.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -60.12 -23.94 64.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.8 -53.59 12.85 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.707 -1.246 . . . . 0.0 110.429 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.91 -38.62 73.08 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.958 1.703 . . . . 0.0 115.088 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.5 -70.28 0.21 Allowed 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.213 -1.554 . . . . 0.0 113.415 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -26.36 -54.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.191 2.596 . . . . 0.0 114.445 148.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.67 -30.94 67.74 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 117.167 -3.458 . . . . 0.0 117.145 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.31 -35.96 68.76 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.889 1.276 . . . . 0.0 111.368 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.9 -37.19 75.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.917 -1.114 . . . . 0.0 111.39 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -77.14 -29.74 54.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 119.662 -1.899 . . . . 0.0 112.523 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.46 -58.73 1.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.194 2.197 . . . . 0.0 114.978 165.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.97 -7.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 120.445 -1.409 . . . . 0.0 112.487 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.2 62.47 2.19 Favored Glycine 0 CA--C 1.49 -1.474 0 O-C-N 120.768 -1.208 . . . . 0.0 114.989 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -100.66 127.64 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 166.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.0 p -124.6 172.31 9.34 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.722 -1.236 . . . . 0.0 111.078 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -142.47 146.49 34.83 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 45.89 32.95 1.43 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 123.588 1.661 . . . . 0.0 114.565 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.56 -1.47 85.69 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 126.276 1.893 . . . . 0.0 115.706 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.1 151.41 34.36 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 120.95 -1.324 . . . . 0.0 110.627 -166.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -78.36 135.08 37.39 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.887 -1.133 . . . . 0.0 108.653 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.82 82.54 8.08 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.146 -1.596 . . . . 0.0 114.665 -167.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.58 179.98 1.22 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.294 159.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -51.31 -42.79 61.43 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 125.295 1.438 . . . . 0.0 113.985 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.527 2.731 . . . . 0.0 112.657 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -66.84 -36.97 83.56 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.496 1.118 . . . . 0.0 112.247 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.74 -54.12 50.63 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.116 1.366 . . . . 0.0 113.195 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -70.09 -32.01 69.87 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.126 -1.609 . . . . 0.0 111.591 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -78.19 -38.99 42.09 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tt -63.79 -42.57 96.35 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 120.616 -1.303 . . . . 0.0 112.097 175.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.55 -56.09 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 125.672 1.589 . . . . 0.0 113.857 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -76.49 -25.36 54.19 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 118.48 -2.638 . . . . 0.0 110.609 -164.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -94.88 20.66 8.51 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.657 1.183 . . . . 0.0 113.544 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.87 160.82 25.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.059 -1.651 . . . . 0.0 114.121 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -77.8 129.22 35.18 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.705 -1.247 . . . . 0.0 109.256 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -34.82 -48.07 0.37 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.88 -31.9 71.17 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -94.78 -20.19 19.7 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 120.064 1.302 . . . . 0.0 113.546 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -48.8 -42.95 37.64 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.881 -1.762 . . . . 0.0 113.604 150.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -78.35 -28.13 47.14 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.695 -0.628 . . . . 0.0 111.939 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.8 m -54.19 -42.21 69.44 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.806 -1.809 . . . . 0.0 113.357 167.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.05 -55.63 13.54 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 119.866 -1.771 . . . . 0.0 113.298 169.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.8 mt -42.53 -56.87 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 125.359 1.464 . . . . 0.0 113.569 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.55 -37.28 83.2 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.362 1.465 . . . . 0.0 113.891 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -83.32 -67.33 0.8 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.33 0.652 . . . . 0.0 110.414 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -87.62 77.94 8.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.2 1.4 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -61.25 -44.2 97.63 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.427 -1.421 . . . . 0.0 113.71 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -78.74 -41.94 29.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.192 0.996 . . . . 0.0 109.969 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.79 -45.78 95.01 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 125.7 1.619 . . . . 0.0 114.131 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -75.45 -51.94 11.86 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.253 -1.733 . . . . 0.0 111.791 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -54.1 -40.3 67.16 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.496 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.2 -64.91 3.02 Favored Glycine 0 C--N 1.35 1.313 0 C-N-CA 124.927 1.251 . . . . 0.0 114.564 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t -70.13 -47.62 66.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 120.42 2.11 . . . . 0.0 114.585 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -36.87 -57.97 0.78 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 126.818 2.047 . . . . 0.0 115.234 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -57.46 -41.63 80.97 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.295 34.6 p90 -85.28 -32.89 22.3 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.35 -1.469 . . . . 0.0 113.453 -175.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 mt -72.34 -30.11 64.44 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.085 -1.634 . . . . 0.0 112.759 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.61 -32.5 60.31 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.188 -1.57 . . . . 0.0 111.168 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.0 ttp -66.13 -65.33 0.69 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.152 1.381 . . . . 0.0 114.057 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.74 -4.32 50.62 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -168.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.3 m -84.1 120.83 26.63 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 119.08 -2.262 . . . . 0.0 111.35 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.55 136.81 54.3 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 126.611 1.964 . . . . 0.0 112.884 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt . . . . . 0 N--CA 1.447 -0.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.046 -172.08 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.532 0.682 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 67.5 t -51.3 -50.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.411 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.69 -49.31 68.31 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.81 50.56 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.663 -1.273 . . . . 0.0 111.835 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.68 -19.68 2.95 Favored Glycine 0 C--N 1.348 1.245 0 O-C-N 121.252 -0.905 . . . . 0.0 114.261 162.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.31 115.67 23.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 124.544 2.116 . . . . 0.0 115.063 -170.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -64.13 146.92 53.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.469 171.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.48 -34.48 0.35 Allowed 'General case' 0 C--N 1.349 0.586 0 N-CA-C 116.458 2.022 . . . . 0.0 116.458 171.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -76.44 -23.83 53.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.901 1.334 . . . . 0.0 112.672 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.62 -38.27 26.28 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.168 2.187 . . . . 0.0 109.531 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.37 71.89 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.828 -1.17 . . . . 0.0 112.146 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -48.58 -60.74 2.46 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.63 -38.38 42.48 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 C-N-CA 127.816 2.446 . . . . 0.0 114.62 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.26 -45.04 96.16 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.605 1.162 . . . . 0.0 110.948 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -52.37 64.6 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 161.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.46 -63.35 1.33 Allowed 'General case' 0 C--N 1.347 0.482 0 CA-C-N 122.305 2.32 . . . . 0.0 116.264 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -98.47 -38.11 9.32 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.275 1.43 . . . . 0.0 113.555 -167.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -82.89 -23.03 33.77 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.785 -1.197 . . . . 0.0 110.528 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 71.67 34.54 62.84 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 125.053 1.311 . . . . 0.0 115.56 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 35.8 mt -99.24 129.17 50.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 120.624 -1.515 . . . . 0.0 109.947 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.17 108.72 14.0 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.812 -1.18 . . . . 0.0 112.415 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 12.9 ptp -132.3 41.1 3.25 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.669 1.223 . . . . 0.0 108.615 165.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.39 37.6 3.5 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.142 1.377 . . . . 0.0 110.791 -168.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 t -137.78 -164.8 1.67 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.818 2.047 . . . . 0.0 107.893 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -64.74 111.05 2.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.007 1.723 . . . . 0.0 113.581 155.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.62 116.81 31.98 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 76.6 m -81.8 148.83 28.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.066 -1.646 . . . . 0.0 107.964 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.68 -20.82 15.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -66.38 -36.08 81.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.651 1.18 . . . . 0.0 113.41 168.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.1 -41.09 74.49 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.624 1.57 . . . . 0.0 112.609 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.02 -42.74 83.51 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.602 1.191 . . . . 0.0 111.35 170.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.49 -54.12 38.48 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 124.504 1.049 . . . . 0.0 113.586 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -30.26 70.73 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 122.868 1.318 . . . . 0.0 111.003 -172.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.32 0.81 47.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.526 1.13 . . . . 0.0 113.041 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -59.08 2.91 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 119.168 -2.207 . . . . 0.0 109.969 160.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -40.91 -59.7 1.37 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 158.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.256 91.7 t -65.18 -57.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 O-C-N 120.025 -1.672 . . . . 0.0 113.171 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 17.9 m -54.63 -35.98 64.03 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -66.46 -39.36 88.79 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 119.047 -2.283 . . . . 0.0 111.697 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.73 -51.03 71.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 120.679 -1.263 . . . . 0.0 113.076 167.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -53.64 -40.09 65.53 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.44 -1.412 . . . . 0.0 112.807 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 O-C-N 120.3 -1.5 . . . . 0.0 112.439 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -74.8 -13.77 60.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 124.638 3.381 . . . . 0.0 111.356 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -70.1 -48.88 55.82 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.731 -1.856 . . . . 0.0 112.145 165.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 54.1 mt -47.97 -50.75 9.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.786 1.634 . . . . 0.0 113.89 163.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -53.4 -60.71 2.95 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.513 1.925 . . . . 0.0 113.488 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.07 -47.87 3.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.825 2.05 . . . . 0.0 115.828 167.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -67.66 -46.7 71.63 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 112.081 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.97 73.33 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.13 1.372 . . . . 0.0 114.121 175.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.33 -19.88 65.52 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.566 -1.334 . . . . 0.0 113.553 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.0 -29.78 19.24 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 120.171 -1.58 . . . . 0.0 108.176 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.71 -21.0 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 165.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.04 101.66 13.13 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 119.654 -1.904 . . . . 0.0 112.813 168.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -50.27 13.13 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 120.284 3.438 . . . . 0.0 120.284 156.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -81.83 145.76 54.58 Favored Pre-proline 0 C--N 1.344 0.346 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.725 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 N--CA 1.459 -0.532 0 C-N-CA 122.459 2.106 . . . . 0.0 112.947 -170.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.432 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.462 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 21.4 m120 -97.88 -34.01 11.01 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.903 0.881 . . . . 0.0 110.592 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.83 -33.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 -168.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.14 -42.99 91.99 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.382 -1.449 . . . . 0.0 112.839 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -77.78 -39.29 44.54 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.053 -1.029 . . . . 0.0 111.175 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.6 -57.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 O-C-N 121.175 -0.953 . . . . 0.0 112.763 166.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -50.23 -46.71 54.92 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.504 -1.372 . . . . 0.0 114.02 171.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -49.43 -62.22 1.66 Allowed 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.654 1.581 . . . . 0.0 113.501 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -43.1 -53.7 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.153 2.581 . . . . 0.0 115.655 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -55.04 -53.02 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.768 1.227 . . . . 0.0 111.631 172.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -65.67 -42.98 90.69 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.411 -1.43 . . . . 0.0 113.207 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.54 -28.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 O-C-N 119.586 -1.946 . . . . 0.0 113.985 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -16.72 62.98 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 119.039 -2.288 . . . . 0.0 112.825 165.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -71.7 -41.95 67.97 Favored 'General case' 0 C--N 1.366 1.29 0 O-C-N 120.662 -1.274 . . . . 0.0 108.764 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -37.11 -61.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.431 0 C-N-CA 129.323 3.049 . . . . 0.0 113.912 163.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -51.21 -49.6 60.72 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 126.723 2.009 . . . . 0.0 112.111 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -59.42 -48.89 85.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 128.649 2.78 . . . . 0.0 113.491 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -78.59 -45.57 21.38 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 118.674 -2.516 . . . . 0.0 111.096 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -73.54 -54.56 7.93 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.368 1.467 . . . . 0.0 113.795 -173.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -105.85 -9.85 16.97 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.357 -0.839 . . . . 0.0 112.763 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.406 42.2 mtt180 62.46 -130.71 0.57 Allowed 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.967 0.907 . . . . 0.0 113.241 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -97.53 5.57 49.39 Favored 'General case' 0 CA--C 1.515 -0.387 0 O-C-N 119.787 -1.821 . . . . 0.0 111.601 -163.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.13 -68.39 0.3 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 129.696 3.199 . . . . 0.0 113.007 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.2 pt -84.62 -28.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 119.681 -1.887 . . . . 0.0 110.728 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.5 t -46.77 -38.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 127.651 2.38 . . . . 0.0 115.442 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -51.68 -48.78 63.33 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.142 1.448 . . . . 0.0 112.2 172.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -79.96 100.3 8.03 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.24 -145.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -59.68 -25.49 64.8 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -167.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.01 -55.51 4.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.981 -1.075 . . . . 0.0 110.989 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 -44.46 97.03 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.732 2.013 . . . . 0.0 111.93 -173.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.83 -44.17 81.78 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.404 -1.435 . . . . 0.0 114.665 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -83.58 -27.16 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 119.141 -2.224 . . . . 0.0 110.007 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.99 -29.82 70.95 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.106 -2.246 . . . . 0.0 112.941 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -42.31 99.67 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 125.638 1.575 . . . . 0.0 112.094 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.61 -38.9 89.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.019 1.728 . . . . 0.0 112.531 173.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -79.31 -33.33 43.34 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.432 -1.417 . . . . 0.0 113.6 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -57.4 2.02 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.549 2.339 . . . . 0.0 116.07 164.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.7 pt -84.2 -15.74 11.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 O-C-N 121.382 -0.824 . . . . 0.0 110.731 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.92 56.1 1.78 Allowed Glycine 0 CA--C 1.494 -1.226 0 O-C-N 121.191 -0.943 . . . . 0.0 112.61 165.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -84.9 130.25 36.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 CA-C-O 123.461 1.601 . . . . 0.0 108.509 170.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -127.72 150.86 49.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 129.748 3.219 . . . . 0.0 109.73 -163.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 4' ' ' ASN . 55.8 t60 -147.4 137.77 23.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 119.78 -1.825 . . . . 0.0 108.769 163.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 54.84 35.03 23.32 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 120.298 -1.501 . . . . 0.0 113.529 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.61 -7.45 54.01 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.595 1.569 . . . . 0.0 113.614 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -96.83 157.38 15.93 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.892 1.277 . . . . 0.0 110.837 -174.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -94.66 129.47 41.53 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.262 0.5 OUTLIER -94.6 99.54 11.66 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 123.31 1.529 . . . . 0.0 114.258 -170.555 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.03 -173.22 3.46 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.245 -1.534 . . . . 0.0 111.193 166.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -45.18 -52.64 9.12 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 118.284 2.698 . . . . 0.0 118.284 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.23 -55.04 39.9 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.207 1.803 . . . . 0.0 113.719 174.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.585 -1.322 . . . . 0.0 113.136 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.582 1.553 . . . . 0.0 111.42 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.49 -37.71 68.36 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.76 -1.212 . . . . 0.0 111.007 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.86 -40.98 88.06 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 126.134 1.773 . . . . 0.0 114.222 -174.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 tt -70.69 -24.75 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 119.419 -2.051 . . . . 0.0 113.193 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.42 -40.55 13.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 127.311 2.244 . . . . 0.0 112.248 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.0 p -58.14 -45.51 87.26 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 165.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -90.53 77.12 6.51 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 121.113 1.778 . . . . 0.0 110.504 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mt -113.54 131.17 56.18 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.892 1.277 . . . . 0.0 112.621 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.2 m -64.9 127.93 33.65 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.34 1.456 . . . . 0.0 111.239 174.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.25 -54.48 13.46 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -174.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.73 -34.06 75.14 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -89.38 -30.68 18.2 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.55 -1.344 . . . . 0.0 111.351 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -40.63 82.4 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 118.883 -2.386 . . . . 0.0 113.257 165.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -68.84 -42.95 76.44 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.102 0.961 . . . . 0.0 111.677 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.8 m -43.71 -49.58 7.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.813 2.045 . . . . 0.0 114.632 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.13 -45.62 84.31 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 120.731 -1.231 . . . . 0.0 112.495 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.04 -59.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 169.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.17 -23.41 66.58 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -68.1 -80.37 0.04 OUTLIER 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.028 1.74 . . . . 0.0 111.803 170.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -124.83 104.81 8.82 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.018 -1.051 . . . . 0.0 108.512 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.99 -47.43 85.21 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -168.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.2 -44.96 33.31 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.48 -65.1 3.79 Favored Glycine 0 C--N 1.358 1.753 0 C-N-CA 125.642 1.591 . . . . 0.0 113.145 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.64 99.87 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.991 -1.299 . . . . 0.0 112.794 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.1 -40.47 64.16 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.43 30.71 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 120.976 -1.078 . . . . 0.0 113.548 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.08 -49.77 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 121.668 -0.901 . . . . 0.0 112.52 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -37.09 -61.02 0.59 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.314 1.846 . . . . 0.0 115.181 163.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -65.14 -50.62 65.31 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -70.7 -24.35 62.64 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.116 -1.615 . . . . 0.0 112.873 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.41 -48.77 76.45 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.495 1.518 . . . . 0.0 111.911 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.1 -46.02 65.71 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.352 -0.843 . . . . 0.0 113.058 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.9 ttp -70.19 -50.05 44.11 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -172.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -93.24 -58.78 2.2 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.755 -1.216 . . . . 0.0 112.805 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 2.4 t -88.75 91.31 8.77 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 124.438 2.066 . . . . 0.0 113.269 -169.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -77.32 151.62 34.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 119.832 -1.792 . . . . 0.0 111.506 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--N 1.362 1.136 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 172.011 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 56.8 t -66.1 -34.96 73.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.205 -1.559 . . . . 0.0 111.876 167.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.1 -72.95 0.16 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.505 -1.997 . . . . 0.0 111.015 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -14.76 -73.32 0.01 OUTLIER 'General case' 0 C--N 1.355 0.82 1 N-CA-C 122.019 4.081 . . . . 0.0 122.019 151.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 120.49 -38.64 2.66 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 124.025 0.822 . . . . 0.0 111.819 -169.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -82.35 128.61 34.39 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 124.037 1.875 . . . . 0.0 115.933 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.7 m -55.18 146.27 19.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 126.724 2.009 . . . . 0.0 113.196 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.59 58.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 118.102 -2.874 . . . . 0.0 114.035 169.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -56.96 -34.56 68.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 113.348 171.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -76.8 -34.51 57.93 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.121 1.768 . . . . 0.0 111.531 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.69 78.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.37 -1.456 . . . . 0.0 112.47 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -44.46 -60.51 1.92 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 165.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.75 -30.1 47.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 125.788 1.635 . . . . 0.0 114.671 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.2 -42.57 93.43 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.136 0.974 . . . . 0.0 110.84 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -62.0 -57.8 10.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 159.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 71.1 mtm -58.24 -61.97 2.18 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 123.519 2.872 . . . . 0.0 117.838 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -111.42 -10.14 14.21 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.87 -13.85 19.87 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.947 -1.096 . . . . 0.0 110.735 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.53 79.13 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 120.537 -1.352 . . . . 0.0 116.077 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 10.7 mt -97.66 123.54 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 118.815 1.308 . . . . 0.0 109.007 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.48 79.96 4.9 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 119.766 -1.834 . . . . 0.0 108.962 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 21.4 mtm -91.78 52.56 2.04 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 119.913 -1.742 . . . . 0.0 109.663 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -114.13 -34.25 5.42 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.473 -1.392 . . . . 0.0 112.674 -157.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 66.9 p -86.51 -161.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.193 0 O-C-N 120.913 -1.117 . . . . 0.0 109.597 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -59.17 120.06 8.5 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.892 1.677 . . . . 0.0 113.766 -174.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -122.41 95.51 4.67 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 171.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 162.14 27.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.979 1.312 . . . . 0.0 110.441 173.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 pp -58.98 -27.1 65.06 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.01 -2.307 . . . . 0.0 117.16 -171.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.59 -23.89 29.42 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 119.449 -2.032 . . . . 0.0 111.644 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -67.57 -31.82 72.16 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 119.831 -1.793 . . . . 0.0 111.201 168.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 23.3 t -57.96 -39.76 73.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 O-C-N 120.369 -1.457 . . . . 0.0 114.271 164.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.14 79.7 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 119.035 -2.291 . . . . 0.0 113.472 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.27 -39.92 92.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.119 2.168 . . . . 0.0 111.741 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.67 -35.11 73.79 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 119.715 -1.866 . . . . 0.0 112.788 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.32 -68.14 0.49 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.16 -0.963 . . . . 0.0 113.103 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -32.31 -59.84 0.29 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 160.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.63 -60.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.921 1.288 . . . . 0.0 113.048 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.6 m -45.33 -46.84 13.15 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 165.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -62.03 -47.38 85.02 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.233 -1.542 . . . . 0.0 110.345 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -55.68 -46.68 77.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 111.159 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -35.59 71.55 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.531 -1.355 . . . . 0.0 113.213 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.18 -39.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 119.791 -1.818 . . . . 0.0 113.028 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -75.04 -17.09 60.56 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 122.665 2.484 . . . . 0.0 108.766 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -72.83 -39.66 66.4 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.0 -2.313 . . . . 0.0 111.908 168.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 87.1 mt -54.2 -43.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 125.679 1.592 . . . . 0.0 113.124 170.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.31 -43.7 97.1 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.563 1.545 . . . . 0.0 112.565 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.34 62.68 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.461 1.504 . . . . 0.0 114.447 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -80.34 -54.76 5.42 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.565 -1.335 . . . . 0.0 108.372 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.07 -37.33 61.55 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.53 -1.08 25.55 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -98.76 -45.11 6.14 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 168.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -57.56 -38.97 75.66 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.422 -1.423 . . . . 0.0 114.214 171.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 15.4 tp -94.05 100.61 12.7 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 125.376 1.47 . . . . 0.0 110.417 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.77 -27.35 67.52 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -61.36 129.59 91.07 Favored Pre-proline 0 C--N 1.354 0.803 0 CA-C-N 119.837 1.199 . . . . 0.0 111.616 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo . . . . . 0 CA--C 1.515 -0.429 0 C-N-CA 121.943 1.762 . . . . 0.0 115.175 -174.609 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 122.288 1.042 . . . . 0.0 113.084 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.454 ' OD1' ' HE1' ' A' ' 44' ' ' HIS . 75.6 m-20 -82.06 -21.85 36.68 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.811 1.244 . . . . 0.0 109.948 171.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.48 -39.31 22.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 C-N-CA 126.66 1.984 . . . . 0.0 113.254 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.74 -55.86 1.42 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 127.777 2.431 . . . . 0.0 115.774 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 m -71.55 -45.12 63.2 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.427 -0.796 . . . . 0.0 111.294 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 t -54.22 -54.9 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.715 0.806 . . . . 0.0 112.128 175.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -50.47 -42.72 54.84 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 129.406 3.082 . . . . 0.0 114.927 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -55.15 -56.18 22.75 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.117 1.767 . . . . 0.0 111.745 169.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mm -52.51 -47.14 48.5 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 124.104 0.962 . . . . 0.0 113.375 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -58.49 -52.39 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.962 . . . . 0.0 111.07 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m -60.14 -45.34 93.38 Favored 'General case' 0 C--N 1.343 0.315 0 O-C-N 121.142 -0.974 . . . . 0.0 113.368 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.91 -22.17 11.02 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 O-C-N 120.594 -1.316 . . . . 0.0 112.701 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.94 58.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.463 -2.023 . . . . 0.0 112.488 168.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -73.39 -46.64 47.67 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.57 2.129 . . . . 0.0 107.745 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -32.89 -56.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 130.724 3.61 . . . . 0.0 115.159 156.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -48.95 -51.9 27.77 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 124.758 1.223 . . . . 0.0 113.22 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.07 -51.39 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 128.872 2.869 . . . . 0.0 109.763 -175.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -77.82 -40.93 38.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.291 -2.13 . . . . 0.0 110.107 -168.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.91 -62.91 1.43 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.036 0.935 . . . . 0.0 113.189 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 1.67 19.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 120.994 -1.066 . . . . 0.0 113.379 -172.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.332 64.5 mtt180 63.29 -119.69 0.54 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.665 1.186 . . . . 0.0 113.581 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -99.83 22.43 11.09 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 120.157 -1.589 . . . . 0.0 112.893 -172.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -59.65 -72.37 0.11 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.754 2.022 . . . . 0.0 113.263 173.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.47 -32.79 8.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.83 -1.168 . . . . 0.0 109.744 -172.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -44.02 -51.48 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 126.92 2.088 . . . . 0.0 113.695 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -47.0 -39.22 12.14 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -98.93 124.56 43.96 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.841 -1.162 . . . . 0.0 108.548 -157.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.42 -52.78 56.41 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -172.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.27 63.81 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.927 0.891 . . . . 0.0 113.205 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -56.1 -41.57 75.45 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.925 1.29 . . . . 0.0 112.133 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.56 -48.74 79.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.49 -1.381 . . . . 0.0 112.114 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -75.23 -36.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.363 1.165 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -169.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.72 -34.63 12.42 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 127.37 2.268 . . . . 0.0 115.631 171.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.23 -40.44 77.94 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.394 0.678 . . . . 0.0 111.359 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.87 -34.7 78.75 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.862 -1.149 . . . . 0.0 110.954 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.48 -59.47 3.96 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.555 -1.34 . . . . 0.0 111.792 171.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -35.63 -52.29 0.67 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 128.302 2.641 . . . . 0.0 118.077 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 0.2 OUTLIER -89.41 -15.62 8.79 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 119.562 -1.961 . . . . 0.0 113.875 177.398 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.03 55.39 2.52 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.254 -1.529 . . . . 0.0 113.955 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -92.92 144.12 10.03 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 167.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.9 p -145.44 169.91 17.4 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 120.047 -1.658 . . . . 0.0 110.487 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.454 ' HE1' ' OD1' ' A' ' 4' ' ' ASN . 75.5 t60 -138.12 136.52 36.8 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 168.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 57.42 23.01 8.52 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 124.014 1.864 . . . . 0.0 112.965 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.39 7.72 82.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 119.043 -2.286 . . . . 0.0 114.494 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -98.36 139.79 33.59 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.397 1.879 . . . . 0.0 109.771 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.97 148.34 36.36 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.927 -1.108 . . . . 0.0 108.813 173.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.88 87.26 5.34 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 119.721 -1.862 . . . . 0.0 115.875 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.81 170.89 12.67 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 147.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -59.02 -32.27 69.58 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -55.17 -53.89 50.29 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 125.755 1.622 . . . . 0.0 113.017 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -61.64 -51.13 69.75 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 121.584 -0.698 . . . . 0.0 111.738 171.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -55.4 -56.87 15.16 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.635 1.574 . . . . 0.0 114.192 -170.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -79.54 -26.49 41.44 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.804 -1.185 . . . . 0.0 111.432 -174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.0 -48.16 81.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.425 1.09 . . . . 0.0 112.461 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.8 pt -62.76 -33.44 60.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -72.43 -56.77 8.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 C-N-CA 127.535 2.334 . . . . 0.0 112.601 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.7 m -50.25 -63.73 1.03 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 127.088 2.155 . . . . 0.0 115.069 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -90.28 24.26 2.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 120.817 -1.177 . . . . 0.0 112.251 -163.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.3 151.41 47.12 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.868 -1.77 . . . . 0.0 111.009 158.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.78 171.07 15.0 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.797 1.639 . . . . 0.0 108.794 166.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -67.95 -47.91 67.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 119.96 -1.712 . . . . 0.0 115.145 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.1 -43.0 71.96 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.3 -1.5 . . . . 0.0 113.786 -173.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -35.05 -68.12 0.13 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.349 2.66 . . . . 0.0 116.912 156.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.31 75.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.219 -1.55 . . . . 0.0 114.149 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -74.01 -26.56 60.51 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 120.86 -1.15 . . . . 0.0 111.394 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -57.22 -41.21 79.07 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.023 -1.673 . . . . 0.0 112.624 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.98 -53.92 51.37 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.82 -1.175 . . . . 0.0 112.433 169.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -49.16 -54.87 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.596 1.558 . . . . 0.0 112.496 173.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.59 -36.43 66.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.252 -1.53 . . . . 0.0 114.51 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -79.8 -56.93 3.92 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 112.8 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -119.8 88.52 2.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -64.47 -64.18 0.94 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.017 -1.052 . . . . 0.0 110.055 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.65 -31.31 72.26 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.828 1.651 . . . . 0.0 111.857 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.13 -48.24 72.56 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 121.089 -1.007 . . . . 0.0 113.326 174.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.0 -47.95 55.89 Favored 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.699 -1.471 . . . . 0.0 111.354 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 125.103 1.361 . . . . 0.0 112.3 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.46 17.49 Favored Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.837 1.684 . . . . 0.0 115.279 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.84 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 120.08 1.94 . . . . 0.0 112.139 -168.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -15.73 -73.56 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 148.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -70.35 -44.65 67.72 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.084 -1.635 . . . . 0.0 113.501 -172.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.78 -47.03 82.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.438 1.017 . . . . 0.0 113.325 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -51.64 68.85 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.721 -1.237 . . . . 0.0 112.346 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.66 -9.78 58.91 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.947 -1.096 . . . . 0.0 113.209 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -81.07 -49.54 10.76 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.365 -1.46 . . . . 0.0 111.202 168.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.47 -54.89 16.34 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.746 1.218 . . . . 0.0 112.673 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.0 p -84.41 85.73 7.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.697 1.237 . . . . 0.0 111.56 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -70.54 151.88 44.58 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.232 -1.542 . . . . 0.0 111.859 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 C--N 1.357 0.912 0 O-C-N 120.193 -1.567 . . . . 0.0 112.576 -164.764 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.63 -46.7 72.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 C-N-CA 125.033 1.333 . . . . 0.0 113.592 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.38 -42.43 73.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.952 1.301 . . . . 0.0 114.008 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -83.44 -24.41 31.86 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.661 -1.274 . . . . 0.0 111.604 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 137.31 -30.54 2.61 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 120.321 -1.487 . . . . 0.0 113.795 162.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.85 138.61 32.45 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 121.11 -1.229 . . . . 0.0 113.843 -165.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 4.3 m -76.08 155.31 34.89 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 119.995 -1.691 . . . . 0.0 112.15 173.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -29.35 -47.02 0.06 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 158.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -73.56 -28.66 61.97 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.406 -2.059 . . . . 0.0 113.168 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.84 -34.66 51.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.31 2.244 . . . . 0.0 109.401 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.07 75.0 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.809 -1.182 . . . . 0.0 111.795 166.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.3 -37.89 86.46 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.057 -1.652 . . . . 0.0 110.67 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.06 -39.28 57.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 O-C-N 119.494 -2.004 . . . . 0.0 114.751 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.58 -47.06 77.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.308 1.443 . . . . 0.0 110.902 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -61.8 -42.94 99.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.042 1.737 . . . . 0.0 113.438 166.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 89.2 mtp -74.99 -66.85 0.71 Allowed 'General case' 0 CA--C 1.531 0.232 0 O-C-N 117.245 -3.41 . . . . 0.0 114.803 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -91.79 -41.3 10.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.831 -1.168 . . . . 0.0 111.947 -165.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -71.08 -24.95 62.42 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.488 -0.758 . . . . 0.0 111.222 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.18 29.32 56.74 Favored Glycine 0 C--N 1.346 1.106 0 O-C-N 121.143 -0.973 . . . . 0.0 115.483 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -101.91 126.75 55.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 118.966 1.383 . . . . 0.0 109.633 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -86.96 85.27 7.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.732 -1.23 . . . . 0.0 111.484 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -93.86 64.79 3.47 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.105 -1.622 . . . . 0.0 111.112 171.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -120.74 -20.24 7.08 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.411 -1.431 . . . . 0.0 112.705 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 55.0 p -97.14 -152.13 0.38 Allowed 'General case' 0 C--N 1.344 0.363 0 O-C-N 120.504 -1.373 . . . . 0.0 111.325 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.24 113.45 7.42 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.537 2.335 . . . . 0.0 112.011 -166.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -127.4 85.06 2.32 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.986 -1.071 . . . . 0.0 110.127 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.95 170.79 9.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.132 1.373 . . . . 0.0 111.915 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 41.2 tp -80.56 -23.51 39.88 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 119.028 -2.295 . . . . 0.0 111.644 -159.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.03 -41.97 73.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.283 -1.511 . . . . 0.0 111.317 164.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.42 -40.64 95.16 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 126.175 1.79 . . . . 0.0 113.857 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 88.2 t -55.77 -45.59 79.51 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 O-C-N 120.305 -1.497 . . . . 0.0 114.335 164.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.31 -36.94 93.77 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 120.151 -1.593 . . . . 0.0 112.747 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -77.82 -24.03 48.85 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.973 -1.31 . . . . 0.0 109.412 -172.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -76.29 -18.52 58.93 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.913 -1.742 . . . . 0.0 112.641 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -20.58 56.56 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.535 -1.978 . . . . 0.0 113.614 170.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -68.67 -72.41 0.18 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.428 1.091 . . . . 0.0 112.727 150.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.72 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 126.066 1.747 . . . . 0.0 113.686 -165.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 91.2 m -49.38 -32.52 11.65 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 167.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -69.36 -48.73 60.41 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 117.968 -2.957 . . . . 0.0 111.315 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -49.83 -43.61 48.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 125.909 1.683 . . . . 0.0 112.606 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -53.33 -43.94 68.04 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.103 1.361 . . . . 0.0 113.94 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.7 -43.42 87.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 120.623 -1.298 . . . . 0.0 111.152 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -19.68 61.14 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.74 -1.85 . . . . 0.0 109.893 -174.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -76.66 -37.5 56.13 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.445 1.498 . . . . 0.0 112.805 166.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.9 mt -57.74 -44.84 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 119.097 -2.252 . . . . 0.0 112.68 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.86 -55.08 29.92 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 130.178 3.391 . . . . 0.0 111.062 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -39.9 -40.89 1.08 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.98 17.6 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.392 -1.443 . . . . 0.0 112.104 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -55.48 -40.35 71.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 53.4 mt -64.47 -16.83 63.14 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 174.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -96.65 -33.95 11.57 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.282 1.433 . . . . 0.0 108.031 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 120.347 -1.47 . . . . 0.0 114.625 169.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.4 tt -91.82 100.2 12.93 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 123.097 1.427 . . . . 0.0 111.992 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -50.28 -66.83 0.32 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -83.18 148.93 57.48 Favored Pre-proline 0 C--N 1.346 0.427 0 O-C-N 120.216 -1.553 . . . . 0.0 113.734 -160.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo . . . . . 0 N--CA 1.462 -0.327 0 C-N-CA 121.764 1.643 . . . . 0.0 114.984 175.153 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp . . . . . 0 N--CA 1.442 -0.865 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -107.94 -52.03 2.82 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.992 -1.068 . . . . 0.0 108.57 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.9 tp -70.03 -12.09 15.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.553 -1.342 . . . . 0.0 112.775 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -86.48 1.22 52.26 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 118.668 -2.52 . . . . 0.0 112.346 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 m -103.91 -47.61 4.15 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.914 -2.624 . . . . 0.0 103.914 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.0 t -49.39 -51.12 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.711 1.604 . . . . 0.0 110.874 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.0 65.88 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.988 -1.695 . . . . 0.0 115.406 167.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.02 -64.35 0.86 Allowed 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.082 1.353 . . . . 0.0 113.08 171.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.5 mt -45.54 -47.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 126.986 2.114 . . . . 0.0 113.774 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -68.44 -37.78 78.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 O-C-N 121.626 -0.671 . . . . 0.0 110.735 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -58.25 -55.56 33.39 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.748 -1.22 . . . . 0.0 112.851 169.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.95 -43.42 97.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 123.095 1.426 . . . . 0.0 112.292 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -14.4 62.87 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.635 1.174 . . . . 0.0 113.027 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -70.1 -60.4 2.31 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-O 125.663 2.649 . . . . 0.0 106.991 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mt -27.49 -51.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.974 1 C-N-CA 133.161 4.584 . . . . 0.0 115.474 158.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -45.95 -51.01 14.07 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.252 1.421 . . . . 0.0 111.877 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.69 -50.5 33.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.596 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -50.94 -45.78 60.74 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -170.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.25 -52.43 3.82 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.279 1.432 . . . . 0.0 111.539 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.283 73.8 m -82.04 -34.97 29.25 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -171.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.495 26.1 mmt180 73.62 -126.58 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.064 2.546 . . . . 0.0 113.426 -154.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -98.99 12.65 35.34 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 118.468 -2.645 . . . . 0.0 115.8 -165.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -50.84 -50.64 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 172.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.05 -48.0 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.961 0.801 . . . . 0.0 110.295 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.99 -52.34 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 C-N-CA 127.686 2.395 . . . . 0.0 116.518 -171.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -38.88 -43.39 0.94 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 127.3 45.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 119.86 1.209 . . . . 0.0 108.825 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -63.68 -44.56 93.34 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.91 1.284 . . . . 0.0 113.205 -172.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.95 -57.32 12.16 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.951 -1.093 . . . . 0.0 112.837 174.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -50.23 -40.47 47.69 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 126.48 1.912 . . . . 0.0 114.455 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.44 -52.43 53.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.409 1.883 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.73 -46.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -166.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.48 -20.3 1.8 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.451 2.701 . . . . 0.0 116.715 173.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -67.97 -38.19 82.46 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.891 1.277 . . . . 0.0 110.297 173.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.01 7.03 7.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.328 1.851 . . . . 0.0 111.967 170.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -103.76 -58.78 1.82 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -27.9 -51.96 0.08 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 118.904 2.927 . . . . 0.0 118.904 164.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.56 -5.35 9.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 124.511 1.124 . . . . 0.0 110.908 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.29 65.35 1.95 Allowed Glycine 0 C--N 1.352 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 115.625 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.0 t -101.18 120.36 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.9 p -120.67 169.73 10.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.828 1.299 . . . . 0.0 111.92 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -163.39 125.12 2.46 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 116.903 -1.522 . . . . 0.0 107.369 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.321 4.9 mm-40 76.92 -0.46 2.97 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-N 123.737 2.971 . . . . 0.0 112.468 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.08 3.37 38.99 Favored Glycine 0 C--N 1.34 0.755 0 C-N-CA 126.546 2.022 . . . . 0.0 112.596 173.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -110.66 146.02 36.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 121.463 -1.022 . . . . 0.0 110.516 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -73.75 125.72 28.75 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 158.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -78.24 92.63 4.5 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 123.113 1.435 . . . . 0.0 114.298 -168.292 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -75.2 -178.24 3.82 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.887 -1.133 . . . . 0.0 111.536 169.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -34.63 -63.91 0.28 Allowed 'General case' 0 C--N 1.352 0.703 0 C-N-CA 128.388 2.675 . . . . 0.0 116.8 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -43.09 -68.04 0.23 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.972 3.309 . . . . 0.0 115.058 166.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -36.07 83.16 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 125.168 1.387 . . . . 0.0 112.583 -166.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.24 -58.17 8.73 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 125.897 1.679 . . . . 0.0 112.956 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 -65.58 -33.55 76.17 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.221 -1.549 . . . . 0.0 113.271 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -57.52 -57.66 11.72 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.082 0.953 . . . . 0.0 113.349 171.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -40.59 87.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.871 -1.143 . . . . 0.0 112.155 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.05 -23.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 O-C-N 121.134 -0.979 . . . . 0.0 109.257 -172.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 t -79.53 -48.45 13.83 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 119.687 -1.883 . . . . 0.0 110.176 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -88.1 6.54 35.86 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -162.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -75.93 -179.29 4.78 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.597 -1.314 . . . . 0.0 114.094 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.411 ' HG1' ' CG ' ' A' ' 65' ' ' ASP . 1.2 p -89.73 150.57 22.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 122.958 1.361 . . . . 0.0 112.215 -175.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -68.53 -43.41 76.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.122 2.169 . . . . 0.0 115.664 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.66 -57.47 5.12 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.043 -1.661 . . . . 0.0 112.987 -174.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' CG ' ' HG1' ' A' ' 62' ' ' THR . 10.2 m-20 -24.45 -51.08 0.03 OUTLIER 'General case' 0 C--N 1.347 0.491 0 N-CA-C 119.481 3.141 . . . . 0.0 119.481 157.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -88.49 -21.29 24.25 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.802 -1.811 . . . . 0.0 110.325 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -81.4 -33.31 32.33 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 122.396 1.093 . . . . 0.0 108.474 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.7 m -58.3 -46.05 86.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 125.95 1.7 . . . . 0.0 111.405 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.9 -32.06 63.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 164.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.8 mt -89.38 -35.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 -165.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.88 -39.59 92.47 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.972 1.309 . . . . 0.0 111.984 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -71.8 -55.28 7.87 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.571 -1.331 . . . . 0.0 112.514 170.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -119.42 96.12 5.08 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.183 -0.948 . . . . 0.0 112.651 -176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.55 -54.03 11.85 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.395 -1.441 . . . . 0.0 112.47 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.12 -36.16 83.13 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.953 -1.092 . . . . 0.0 111.857 173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -62.47 5.46 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.052 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -76.01 -59.71 2.64 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.599 -1.53 . . . . 0.0 112.231 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.01 -33.93 74.45 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.749 -1.845 . . . . 0.0 113.411 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.35 -49.02 46.43 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 121.32 1.873 . . . . 0.0 114.01 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.04 -50.74 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 O-C-N 120.89 -1.359 . . . . 0.0 113.264 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -45.62 -50.2 13.52 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.308 2.243 . . . . 0.0 116.234 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -63.5 -45.12 92.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.254 1.422 . . . . 0.0 110.473 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -69.53 -38.26 77.45 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.868 -1.145 . . . . 0.0 113.881 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.82 -44.77 96.19 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.326 -1.484 . . . . 0.0 112.442 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.71 1.604 . . . . 0.0 112.542 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.1 tpp -64.74 -55.39 20.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.038 1.335 . . . . 0.0 114.044 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -82.76 -35.76 26.31 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 113.605 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.87 97.87 10.68 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 120.887 -1.133 . . . . 0.0 109.441 -172.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -100.15 103.0 14.45 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 120.701 -1.249 . . . . 0.0 112.487 -166.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--N 1.355 0.845 0 C-N-CA 126.033 1.733 . . . . 0.0 113.932 177.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.26 49.3 p-10 . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.6 t -42.1 -44.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 113.598 154.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.04 -74.74 0.1 Allowed 'General case' 0 C--N 1.35 0.623 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.89 22.18 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.769 2.077 . . . . 0.0 114.114 -168.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.77 -15.49 14.14 Favored Glycine 0 C--N 1.359 1.817 0 CA-C-N 121.228 1.831 . . . . 0.0 114.832 166.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.11 132.82 34.66 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 124.669 2.176 . . . . 0.0 115.435 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.1 m -73.13 152.72 41.05 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 112.638 -2.073 . . . . 0.0 111.772 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.88 52.68 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.838 -1.789 . . . . 0.0 113.719 169.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.79 -38.03 89.58 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 123.034 1.397 . . . . 0.0 112.741 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -74.36 -40.64 62.0 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.406 1.882 . . . . 0.0 111.123 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.74 72.15 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.237 1.015 . . . . 0.0 112.996 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -45.27 -64.23 0.77 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.239 1.416 . . . . 0.0 113.346 163.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.81 -22.53 28.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -171.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.95 -44.91 91.53 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.494 1.117 . . . . 0.0 111.966 173.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -91.5 -0.53 57.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.336 -1.478 . . . . 0.0 114.484 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 75.9 mtm -87.7 -61.53 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 O-C-N 119.908 -1.745 . . . . 0.0 109.727 169.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -89.95 -57.87 2.71 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.628 1.171 . . . . 0.0 113.264 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -68.07 -25.53 65.39 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 112.399 -165.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.91 35.85 34.01 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 120.759 -1.213 . . . . 0.0 114.891 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.4 mt -109.3 124.38 65.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.346 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 170.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.01 138.25 34.93 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.058 0.943 . . . . 0.0 110.673 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.11 76.87 1.59 Allowed 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.353 -0.842 . . . . 0.0 110.227 171.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -124.69 57.56 1.26 Allowed 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.517 -1.365 . . . . 0.0 107.373 161.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.29 169.34 13.64 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.815 -1.178 . . . . 0.0 110.89 -170.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.6 128.36 35.47 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 127.799 2.44 . . . . 0.0 111.88 160.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -123.94 114.26 19.56 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.274 0.629 . . . . 0.0 111.269 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.0 p -86.52 -176.95 6.05 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 158.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -10.85 58.56 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.595 -1.316 . . . . 0.0 111.057 171.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -82.55 -35.41 27.23 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 120.271 -1.518 . . . . 0.0 109.286 173.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.68 -43.7 97.4 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 120.347 -1.471 . . . . 0.0 112.145 170.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.24 -41.23 18.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 120.698 -1.251 . . . . 0.0 113.675 167.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -67.09 -33.47 83.51 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 119.543 -1.973 . . . . 0.0 114.83 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -70.99 -37.75 72.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.434 2.294 . . . . 0.0 111.535 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.99 -29.14 70.59 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 119.185 -2.197 . . . . 0.0 112.693 168.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -51.99 22.85 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 125.566 1.546 . . . . 0.0 112.214 173.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -49.1 -38.21 23.94 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 167.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.17 -72.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.633 -0.667 . . . . 0.0 109.713 170.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.3 m -42.8 -54.28 4.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -64.92 -45.35 86.2 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 120.797 1.635 . . . . 0.0 110.393 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.24 -42.13 89.02 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -56.0 -35.96 67.38 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 119.687 -1.883 . . . . 0.0 113.492 171.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 27.4 mt -60.24 -34.73 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 O-C-N 120.022 -1.674 . . . . 0.0 112.126 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -77.64 -21.7 51.82 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 121.487 1.949 . . . . 0.0 109.775 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -65.95 -37.97 87.41 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 118.695 -2.503 . . . . 0.0 112.136 164.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.33 -47.27 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.582 -1.324 . . . . 0.0 113.161 166.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.79 -54.05 47.24 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 124.785 1.234 . . . . 0.0 111.067 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -49.88 -49.34 49.85 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.298 2.239 . . . . 0.0 113.591 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -69.65 -44.82 69.77 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.106 -0.996 . . . . 0.0 112.106 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.29 68.58 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.403 -1.435 . . . . 0.0 114.693 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 68.6 mt -75.8 -14.16 60.3 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.51 -1.369 . . . . 0.0 113.876 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -89.05 -37.76 14.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.916 2.087 . . . . 0.0 108.846 170.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.36 -22.44 66.8 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.1 mt -78.86 158.45 28.12 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.505 1.621 . . . . 0.0 112.296 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 -54.19 2.51 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 126.383 1.873 . . . . 0.0 109.017 -160.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -80.92 140.59 50.3 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 156.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 C--N 1.322 -0.836 0 CA-C-N 122.795 2.034 . . . . 0.0 109.976 174.867 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tptt . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.1 p30 -52.48 -27.93 18.26 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 171.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.49 -33.57 64.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.307 -1.496 . . . . 0.0 110.59 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.02 -43.82 94.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 127.17 2.188 . . . . 0.0 111.86 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -59.28 -47.42 85.43 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 125.315 1.446 . . . . 0.0 111.556 170.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.26 90.3 t -57.45 -49.53 79.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.832 1.253 . . . . 0.0 111.659 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -47.7 -44.75 27.89 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.186 -1.571 . . . . 0.0 114.489 167.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -61.51 -61.18 2.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.012 0.925 . . . . 0.0 112.39 170.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -42.63 -50.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 127.442 2.297 . . . . 0.0 113.664 176.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mm -65.3 -46.7 89.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.45 1.5 . . . . 0.0 111.545 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -62.94 -52.24 63.82 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.426 -1.421 . . . . 0.0 113.641 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.62 -32.23 51.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 O-C-N 120.286 -1.509 . . . . 0.0 112.135 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -20.98 61.17 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.922 -1.737 . . . . 0.0 113.058 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 m -70.33 -45.19 66.68 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 120.27 -1.518 . . . . 0.0 108.13 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.5 mt -37.03 -63.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 128.876 2.87 . . . . 0.0 114.232 160.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.1 mt -49.77 -47.24 51.13 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.62 1.676 . . . . 0.0 113.376 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.81 -57.77 10.53 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 128.771 2.828 . . . . 0.0 113.316 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.58 -45.48 71.92 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 118.47 -2.644 . . . . 0.0 110.98 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -73.59 -51.83 15.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.254 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -116.83 -11.52 10.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.011 -1.056 . . . . 0.0 113.468 -170.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.296 8.3 tpp180 48.46 -116.75 0.84 Allowed 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.771 2.028 . . . . 0.0 116.186 176.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -92.43 -2.68 56.12 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.987 -1.696 . . . . 0.0 112.251 -170.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.64 -55.66 21.79 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.44 1.496 . . . . 0.0 110.631 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 pt -87.93 -48.85 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 O-C-N 120.612 -1.305 . . . . 0.0 112.042 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.72 -44.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 128.541 2.736 . . . . 0.0 116.325 174.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.25 -28.91 20.51 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -90.27 96.14 10.52 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -170.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.43 73.15 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 119.391 -2.068 . . . . 0.0 114.745 -161.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.57 67.61 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.031 -1.668 . . . . 0.0 114.162 166.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -54.39 -43.28 71.28 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.212 1.405 . . . . 0.0 114.77 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -54.84 -49.81 70.16 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.158 0.983 . . . . 0.0 111.738 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.07 -37.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-O 122.763 1.268 . . . . 0.0 107.963 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.25 57.88 Favored 'General case' 0 C--N 1.364 1.214 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -33.06 74.25 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.886 1.274 . . . . 0.0 110.686 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -71.25 -40.82 70.77 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 122.68 1.228 . . . . 0.0 111.06 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -67.15 -37.98 84.72 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.344 -2.097 . . . . 0.0 112.763 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.98 -53.04 2.41 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.778 2.831 . . . . 0.0 114.834 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -15.98 7.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 58.61 2.11 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 119.261 -2.15 . . . . 0.0 115.447 171.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.61 126.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.4 p -117.84 171.84 7.78 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 119.923 -1.735 . . . . 0.0 112.257 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.55 149.46 35.89 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 166.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 60.2 0.17 0.28 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.49 -16.7 44.33 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 120.567 -1.333 . . . . 0.0 111.862 -172.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -98.2 141.47 31.07 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.993 0.917 . . . . 0.0 110.557 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -74.43 122.41 22.96 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.313 0.8 OUTLIER -74.63 82.87 2.05 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 123.654 1.693 . . . . 0.0 114.479 -164.281 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -71.91 170.97 12.62 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 120.853 -1.154 . . . . 0.0 110.189 168.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -42.02 -45.79 3.98 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 127.59 2.356 . . . . 0.0 116.833 -170.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -50.71 -64.12 0.91 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.322 1.849 . . . . 0.0 113.389 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.5 m -66.2 -32.78 74.42 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.553 -1.342 . . . . 0.0 113.076 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.09 -42.19 99.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.972 -1.08 . . . . 0.0 113.573 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -76.35 -30.44 57.61 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.132 -1.605 . . . . 0.0 110.385 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.48 -53.62 56.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 125.135 1.374 . . . . 0.0 113.855 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.53 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.44 -41.95 22.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 C-N-CA 127.882 2.473 . . . . 0.0 112.655 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.2 p -65.38 -28.77 69.5 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.137 -1.602 . . . . 0.0 114.842 167.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.62 -22.09 1.87 Allowed 'General case' 0 C--N 1.349 0.554 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 165.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.26 138.17 53.69 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.915 -1.74 . . . . 0.0 113.234 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.46 178.59 6.48 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.108 0.963 . . . . 0.0 108.961 173.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -62.89 -51.59 66.37 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 119.369 -2.082 . . . . 0.0 115.396 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.1 -59.31 3.57 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 122.721 1.248 . . . . 0.0 113.1 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.251 1.7 m-20 -11.86 -77.24 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.77 3.228 . . . . 0.0 118.144 147.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.63 -37.72 85.04 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.366 -1.459 . . . . 0.0 114.387 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 121.214 -0.929 . . . . 0.0 110.842 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.2 m -52.56 -47.51 66.74 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.036 2.135 . . . . 0.0 113.474 168.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.96 -42.34 73.31 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.829 -1.169 . . . . 0.0 111.994 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mt -48.12 -48.98 12.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 126.069 1.748 . . . . 0.0 112.35 165.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.59 74.8 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.538 -1.351 . . . . 0.0 114.107 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.57 -69.04 0.45 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.467 1.107 . . . . 0.0 113.176 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -119.68 96.27 5.12 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.225 -0.922 . . . . 0.0 111.652 -163.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -64.9 -58.98 4.72 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.632 1.173 . . . . 0.0 113.212 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.8 -34.44 77.82 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.663 -1.273 . . . . 0.0 112.09 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.1 -50.51 45.54 Favored Glycine 0 C--N 1.344 1.018 0 O-C-N 120.918 -1.114 . . . . 0.0 113.528 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -78.57 -63.02 1.5 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.864 -1.374 . . . . 0.0 111.797 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -62.88 -27.85 69.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.659 -1.276 . . . . 0.0 113.216 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.31 -56.37 20.49 Favored Glycine 0 C--N 1.348 1.221 0 O-C-N 121.435 -0.79 . . . . 0.0 113.038 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.88 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 CA-C-N 120.372 2.086 . . . . 0.0 112.169 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -44.05 -61.2 1.55 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 128.361 2.664 . . . . 0.0 113.788 162.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -58.83 -41.65 87.41 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.55 -41.41 75.94 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.904 -1.122 . . . . 0.0 111.501 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.1 tp -53.81 -59.27 4.84 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.649 1.58 . . . . 0.0 114.578 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.9 -20.31 61.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 121.267 -0.896 . . . . 0.0 112.298 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -71.51 -63.52 1.1 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.226 -0.921 . . . . 0.0 111.66 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -9.6 57.49 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -167.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -83.62 144.67 29.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.896 -1.752 . . . . 0.0 113.166 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.45 125.99 17.94 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.707 1.603 . . . . 0.0 114.925 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 N--CA 1.451 -0.418 0 O-C-N 120.912 -1.117 . . . . 0.0 109.969 173.83 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.11 -44.71 83.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 O-C-N 120.946 -1.096 . . . . 0.0 111.072 173.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.76 -56.51 20.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.81 -25.0 44.2 Favored 'General case' 0 C--N 1.372 1.56 0 CA-C-N 122.244 2.293 . . . . 0.0 112.579 -172.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 115.36 -11.15 19.5 Favored Glycine 0 CA--C 1.496 -1.129 0 O-C-N 120.962 -1.086 . . . . 0.0 113.603 166.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.97 131.81 34.43 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 123.896 1.808 . . . . 0.0 113.898 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 78.2 p -74.96 165.05 25.88 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 122.537 1.161 . . . . 0.0 111.272 170.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.52 39.85 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.319 1.447 . . . . 0.0 113.719 171.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -74.2 -39.01 63.44 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 127.352 2.261 . . . . 0.0 111.316 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -75.42 -29.64 59.81 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 0.0 109.578 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.94 -37.54 61.97 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.341 -1.474 . . . . 0.0 113.116 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -46.07 -66.76 0.36 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.94 2.096 . . . . 0.0 112.363 167.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 97.8 t -54.06 -30.02 19.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.903 2.081 . . . . 0.0 114.725 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.83 -39.55 87.69 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.194 -1.566 . . . . 0.0 113.149 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -70.94 -60.36 2.28 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 119.803 -1.811 . . . . 0.0 110.588 164.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.14 -52.24 1.9 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -108.03 -41.33 4.97 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.625 1.17 . . . . 0.0 112.265 -172.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -95.49 -13.01 24.9 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.361 -0.837 . . . . 0.0 111.227 -169.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 67.52 29.32 73.93 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 120.164 -1.585 . . . . 0.0 115.162 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.19 125.12 67.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 124.506 1.123 . . . . 0.0 108.386 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.23 100.22 10.72 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.684 -1.26 . . . . 0.0 110.533 -177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.6 mtm -96.66 -4.73 40.41 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.902 -1.124 . . . . 0.0 112.273 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.96 54.75 0.0 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 119.67 3.211 . . . . 0.0 119.67 167.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 569' ' ' THR . . . . . 0.488 HG23 ' H ' ' B' ' 570' ' ' ASP . 0.8 OUTLIER -128.04 -175.59 3.54 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 118.562 -2.586 . . . . 0.0 108.867 -176.243 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . 0.488 ' H ' HG23 ' B' ' 569' ' ' THR . 28.4 t70 -74.24 114.79 13.01 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 159.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.89 97.56 5.41 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.582 1.182 . . . . 0.0 109.473 -168.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.12 161.8 30.37 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.311 1.444 . . . . 0.0 111.253 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.37 -27.47 56.42 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.162 -2.211 . . . . 0.0 111.786 -164.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.55 -45.22 95.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.347 1.859 . . . . 0.0 111.928 165.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.21 -30.59 70.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.583 2.353 . . . . 0.0 114.516 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 75.5 t -51.42 -40.57 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 O-C-N 120.563 -1.336 . . . . 0.0 114.302 164.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.16 88.11 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.431 -2.043 . . . . 0.0 113.703 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.1 -44.5 88.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 130.164 3.386 . . . . 0.0 111.529 170.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -24.32 65.25 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 118.994 -2.316 . . . . 0.0 113.636 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -54.68 11.08 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.714 -1.241 . . . . 0.0 111.632 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.95 -56.7 3.17 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 164.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.51 -62.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 124.548 1.139 . . . . 0.0 111.565 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 22.5 m -41.8 -49.27 4.39 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 166.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -69.99 -43.36 71.59 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 120.633 1.561 . . . . 0.0 110.583 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -54.79 -47.78 73.55 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.866 1.266 . . . . 0.0 111.901 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.24 -31.11 71.63 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.785 -1.197 . . . . 0.0 111.603 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.27 95.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.32 -2.113 . . . . 0.0 112.452 170.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -73.7 -20.07 60.64 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-N 123.598 2.908 . . . . 0.0 108.673 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -66.73 -37.14 84.07 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.683 -1.886 . . . . 0.0 113.914 162.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.06 -44.61 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.401 1.48 . . . . 0.0 114.612 167.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -47.48 -54.18 12.2 Favored 'General case' 0 C--N 1.364 1.227 0 C-N-CA 126.345 1.858 . . . . 0.0 110.248 176.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.07 -43.93 20.56 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 127.622 2.369 . . . . 0.0 114.464 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -81.7 -26.66 34.46 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.78 -1.2 . . . . 0.0 111.309 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.73 -34.05 46.18 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.777 -1.202 . . . . 0.0 111.199 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.27 5.46 3.56 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.291 -1.506 . . . . 0.0 113.556 168.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -107.31 -20.95 13.11 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 126.554 1.942 . . . . 0.0 110.392 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -70.56 -26.0 63.35 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 118.663 -2.523 . . . . 0.0 113.461 158.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.43 159.7 19.9 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.412 1.577 . . . . 0.0 112.71 164.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -154.88 -47.35 0.09 Allowed 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 126.69 1.996 . . . . 0.0 107.463 -162.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -72.47 124.4 90.74 Favored Pre-proline 0 C--N 1.352 0.705 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 157.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo . . . . . 0 CA--C 1.512 -0.585 0 CA-C-N 123.842 2.408 . . . . 0.0 115.553 -163.201 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.8 mttp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.68 -53.35 7.24 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.616 -1.302 . . . . 0.0 110.364 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.07 -25.09 35.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.5 -41.78 96.24 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 118.892 -2.38 . . . . 0.0 114.267 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.7 m -60.59 -40.6 92.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.624 -1.923 . . . . 0.0 110.75 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -57.08 -54.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 125.404 1.482 . . . . 0.0 111.887 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -48.77 -49.12 40.09 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.332 1.853 . . . . 0.0 113.605 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.62 -56.18 25.54 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.965 0.906 . . . . 0.0 112.505 174.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -45.66 -52.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.96 1.704 . . . . 0.0 114.726 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 27.6 pt -68.61 -42.66 83.52 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 O-C-N 120.868 -1.145 . . . . 0.0 111.81 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.3 m -60.74 -46.29 91.0 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.046 1.338 . . . . 0.0 112.499 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.18 -30.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 O-C-N 119.826 -1.796 . . . . 0.0 111.818 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.68 -22.06 54.5 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 120.017 -1.677 . . . . 0.0 114.519 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -70.9 -47.27 60.05 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.877 -1.764 . . . . 0.0 108.949 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -32.3 -52.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 129.413 3.085 . . . . 0.0 116.734 156.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.1 mt -48.61 -54.8 13.2 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 120.239 1.382 . . . . 0.0 111.856 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.9 mm -64.59 -38.67 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 127.881 2.472 . . . . 0.0 111.281 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -59.7 3.23 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 123.848 1.785 . . . . 0.0 110.465 -176.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -81.31 -59.13 2.75 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.624 2.37 . . . . 0.0 112.67 -163.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -107.41 -2.36 20.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.036 -1.04 . . . . 0.0 111.332 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.309 32.4 mtm180 63.4 -127.8 0.52 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.685 1.594 . . . . 0.0 114.614 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -93.95 -6.18 46.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.199 -1.563 . . . . 0.0 112.961 -167.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.67 -48.2 80.33 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 pt -83.12 -40.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.407 1.083 . . . . 0.0 111.198 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.94 -42.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 128.85 2.86 . . . . 0.0 114.443 163.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -56.96 -36.24 70.06 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.048 1.739 . . . . 0.0 114.369 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -86.32 89.44 7.86 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -71.42 -21.23 62.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.445 -2.034 . . . . 0.0 115.607 -157.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -54.72 22.73 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.043 0.937 . . . . 0.0 113.089 164.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.04 -41.2 62.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 126.921 2.088 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.56 -52.13 64.77 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.57 1.148 . . . . 0.0 112.377 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.43 -44.6 79.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 CA-C-O 122.215 1.007 . . . . 0.0 108.584 -171.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -22.86 4.81 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 128.289 2.635 . . . . 0.0 116.961 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -41.17 67.82 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.982 0.913 . . . . 0.0 110.318 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.17 -44.37 92.27 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.144 0.973 . . . . 0.0 109.91 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.15 -52.55 64.84 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.046 1.339 . . . . 0.0 113.114 175.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -39.33 -55.7 1.68 Allowed 'General case' 0 C--N 1.35 0.621 0 C-N-CA 127.617 2.367 . . . . 0.0 116.151 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 pt -87.39 -21.58 7.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 O-C-N 120.91 -1.119 . . . . 0.0 112.214 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.71 37.0 4.35 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 120.105 -1.622 . . . . 0.0 114.475 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.67 106.76 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -124.96 -178.91 4.33 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.085 -1.009 . . . . 0.0 109.483 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -142.95 129.46 20.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 174.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 48.3 29.26 1.86 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.27 -8.36 77.52 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 126.044 1.783 . . . . 0.0 113.702 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -99.65 137.65 37.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.545 -1.562 . . . . 0.0 110.514 -172.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -84.08 124.83 31.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.065 -1.022 . . . . 0.0 109.233 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 99.34 11.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 -158.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -63.26 179.69 0.4 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 125.757 1.623 . . . . 0.0 113.485 162.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -63.05 -39.54 95.05 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.808 -1.182 . . . . 0.0 113.001 -170.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -52.2 -59.93 3.81 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.944 1.698 . . . . 0.0 114.442 164.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -66.76 -34.79 78.62 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.595 -1.316 . . . . 0.0 113.021 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.21 -51.97 66.75 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.629 1.572 . . . . 0.0 110.696 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -69.62 -26.28 64.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.55 -1.344 . . . . 0.0 112.923 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.23 89.84 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 119.949 -1.72 . . . . 0.0 112.337 166.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -33.85 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 120.838 -1.164 . . . . 0.0 113.035 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.99 -41.84 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.033 2.133 . . . . 0.0 112.946 166.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -59.21 -51.1 71.43 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.268 -2.145 . . . . 0.0 115.275 173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.1 -29.51 60.72 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 128.304 2.641 . . . . 0.0 118.046 -172.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.18 147.87 31.12 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.826 -1.171 . . . . 0.0 113.285 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.459 ' HG1' ' CG ' ' A' ' 65' ' ' ASP . 46.8 p -76.36 179.47 5.8 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 123.23 1.49 . . . . 0.0 113.212 -172.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -68.39 -40.08 81.49 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.603 -1.311 . . . . 0.0 111.977 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -59.28 -62.81 1.61 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.391 1.476 . . . . 0.0 113.22 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' CG ' ' HG1' ' A' ' 62' ' ' THR 0.309 88.2 m-20 -33.68 -63.37 0.26 Allowed 'General case' 0 C--N 1.349 0.552 0 C-N-CA 128.503 2.721 . . . . 0.0 116.377 168.265 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -43.91 -60.51 1.8 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.87 3.268 . . . . 0.0 115.505 169.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HZ1' ' CG ' ' A' ' 71' ' ' ASP . 7.6 tmtt? -75.53 -29.77 59.55 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.239 -0.913 . . . . 0.0 110.685 -172.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.7 m -56.23 -45.4 79.98 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 126.528 1.931 . . . . 0.0 113.376 166.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.7 -48.92 67.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.388 -1.445 . . . . 0.0 113.437 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.3 mt -52.6 -47.51 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 112.195 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.444 ' CG ' ' HZ1' ' A' ' 67' ' ' LYS . 80.3 m-20 -72.7 -16.57 61.68 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 119.898 -1.751 . . . . 0.0 114.253 174.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.99 -65.27 0.9 Allowed 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.567 -1.333 . . . . 0.0 110.471 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -127.47 99.18 5.51 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.9 -58.02 4.01 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.421 1.105 . . . . 0.0 109.926 -168.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -70.31 -32.73 70.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.096 2.158 . . . . 0.0 112.282 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.95 -56.62 21.48 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 125.078 1.323 . . . . 0.0 113.41 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -64.02 -39.13 93.41 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.853 -1.381 . . . . 0.0 111.413 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -52.9 -49.71 65.35 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 114.184 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.54 96.11 Favored Glycine 0 C--N 1.355 1.611 0 O-C-N 120.344 -1.472 . . . . 0.0 113.553 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.83 -49.67 82.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 O-C-N 121.698 -0.883 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -46.72 -66.73 0.36 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 163.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -71.68 -25.41 62.09 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -167.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -81.78 -38.93 24.85 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.564 -1.335 . . . . 0.0 110.76 171.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.35 -48.58 80.65 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.256 -1.528 . . . . 0.0 113.216 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -60.26 -38.79 84.58 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.719 -1.238 . . . . 0.0 114.185 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -78.47 -43.2 27.67 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.708 0.803 . . . . 0.0 112.407 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -81.01 -32.44 34.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.751 -1.218 . . . . 0.0 113.951 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -66.98 117.79 9.54 Favored 'General case' 0 C--N 1.359 0.997 0 O-C-N 119.856 -1.778 . . . . 0.0 113.188 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -42.42 97.26 0.01 OUTLIER 'General case' 0 C--N 1.358 0.97 0 C-N-CA 127.182 2.193 . . . . 0.0 116.68 -170.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 125.675 1.59 . . . . 0.0 114.772 -179.668 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 119.704 -0.189 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 85.7 t -61.49 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.398 -1.439 . . . . 0.0 112.277 172.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 47.1 mt -58.46 -46.63 86.19 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -86.49 -32.15 20.93 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 120.203 1.365 . . . . 0.0 112.001 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 121.55 -18.92 8.64 Favored Glycine 0 CA--C 1.494 -1.219 0 O-C-N 120.629 -1.294 . . . . 0.0 112.101 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.271 0.8 OUTLIER -79.26 135.85 36.88 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 124.498 2.094 . . . . 0.0 116.3 -167.317 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 82.4 p -88.02 169.72 11.73 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.898 -167.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.52 64.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.69 -1.257 . . . . 0.0 112.259 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -72.06 -50.22 30.19 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.479 -1.388 . . . . 0.0 109.556 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -58.12 -53.22 60.75 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.862 2.865 . . . . 0.0 113.315 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.43 -18.65 63.75 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.118 -0.989 . . . . 0.0 112.655 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -79.83 -44.21 20.97 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 120.158 -1.589 . . . . 0.0 109.546 170.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 9.1 t -55.34 -33.37 31.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 O-C-N 120.133 -1.604 . . . . 0.0 114.558 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.31 -53.69 52.97 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 126.256 1.822 . . . . 0.0 112.299 173.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -82.46 -12.51 57.8 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 96.3 mtp -73.86 -68.53 0.51 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 118.961 -2.337 . . . . 0.0 113.273 162.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -95.9 -42.93 8.06 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 126.105 1.762 . . . . 0.0 113.044 -160.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.67 -15.15 59.88 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 121.85 -0.531 . . . . 0.0 111.012 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 81.64 24.37 56.22 Favored Glycine 0 CA--C 1.485 -1.806 0 O-C-N 121.152 -0.968 . . . . 0.0 114.443 170.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.59 110.62 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.055 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -81.78 96.67 7.66 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.2 ptp -107.53 70.27 0.77 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 122.778 1.275 . . . . 0.0 110.493 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.86 41.4 3.37 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.273 -1.517 . . . . 0.0 111.336 -167.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 17.4 p -133.68 -178.64 5.1 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.761 -1.212 . . . . 0.0 110.69 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -59.62 71.42 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.981 2.512 . . . . 0.0 115.63 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -71.71 110.73 6.45 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.6 p -88.11 164.12 15.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.634 1.574 . . . . 0.0 110.774 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.35 -26.25 62.92 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.94 -41.05 87.65 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.175 -2.203 . . . . 0.0 113.265 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -71.16 -27.76 63.77 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.229 1.411 . . . . 0.0 111.805 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' B' ' 579' ' ' GLN . 57.6 t -61.02 -39.43 82.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 119.289 -2.132 . . . . 0.0 112.332 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -66.43 -40.34 94.4 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 119.69 -1.881 . . . . 0.0 114.569 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -54.6 -44.46 73.09 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.586 1.954 . . . . 0.0 115.075 163.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' B' ' 576' ' ' VAL 0.256 3.5 pt20 -70.47 -33.85 71.73 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 122.682 2.492 . . . . 0.0 112.72 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -34.18 77.43 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 120.176 -1.577 . . . . 0.0 114.845 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.74 -74.21 0.07 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.196 1.398 . . . . 0.0 113.116 161.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.79 -60.34 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 128.143 2.577 . . . . 0.0 111.381 -168.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -36.17 64.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 171.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -75.36 -46.97 29.8 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 118.733 -2.479 . . . . 0.0 109.068 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -51.18 -26.32 6.72 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.936 2.094 . . . . 0.0 114.19 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -70.3 -23.85 62.92 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.757 -1.214 . . . . 0.0 111.925 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 60.9 mt -76.27 -39.29 34.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 119.356 -2.09 . . . . 0.0 112.474 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.97 -48.1 0.39 Allowed 'General case' 0 C--N 1.344 0.365 0 N-CA-C 118.062 2.616 . . . . 0.0 118.062 147.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -80.35 -36.22 34.42 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.666 -1.271 . . . . 0.0 113.269 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.3 mt -55.76 -47.9 78.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 126.789 2.036 . . . . 0.0 113.728 167.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -36.19 74.53 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 121.812 0.815 . . . . 0.0 111.743 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.1 95.24 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.574 1.549 . . . . 0.0 112.267 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -67.03 -53.47 30.89 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.652 1.215 . . . . 0.0 110.62 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -59.61 -31.62 69.65 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.27 -0.84 51.4 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 173.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -83.7 -37.01 23.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.014 -1.679 . . . . 0.0 108.872 160.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -76.58 -28.93 56.38 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.114 -2.241 . . . . 0.0 115.819 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.52 100.85 13.53 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.003 -1.686 . . . . 0.0 110.445 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -84.12 -3.35 58.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -170.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.39 128.85 57.72 Favored Pre-proline 0 C--N 1.349 0.574 0 O-C-N 119.388 -2.07 . . . . 0.0 112.5 176.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo . . . . . 0 N--CA 1.462 -0.357 0 C-N-CA 121.805 1.67 . . . . 0.0 114.853 177.664 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.457 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 8.1 tptm . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.557 0.694 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -100.91 -58.53 1.87 Allowed 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.626 1.17 . . . . 0.0 109.726 171.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tp -61.81 -31.82 52.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 124.927 1.291 . . . . 0.0 114.372 -165.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.22 -46.12 62.15 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.605 1.962 . . . . 0.0 114.128 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -70.55 -40.37 73.44 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 111.47 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.24 -48.06 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.407 -0.808 . . . . 0.0 111.783 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -52.53 -36.69 56.02 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.535 1.534 . . . . 0.0 114.116 167.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.434 ' CD ' HH21 ' B' ' 562' ' ' ARG . 7.0 tp10 -64.26 -60.49 3.13 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.058 0.943 . . . . 0.0 111.235 173.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -47.94 -49.17 11.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 127.421 2.289 . . . . 0.0 113.243 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 tp -64.35 -46.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 120.93 -1.106 . . . . 0.0 112.689 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 m -63.98 -47.16 81.49 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.307 -1.496 . . . . 0.0 112.97 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.97 -27.95 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.775 -1.203 . . . . 0.0 112.372 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.67 58.95 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 119.141 -2.225 . . . . 0.0 113.157 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 t -69.61 -48.89 58.48 Favored 'General case' 0 C--N 1.367 1.327 0 CA-C-O 123.211 1.481 . . . . 0.0 107.093 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.4 mt -35.42 -59.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 128.536 2.734 . . . . 0.0 115.093 161.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.51 -47.58 48.65 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 123.02 1.39 . . . . 0.0 112.453 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 mm -63.43 -62.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 C-N-CA 126.751 2.02 . . . . 0.0 111.931 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -70.78 -23.68 62.44 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.727 -1.858 . . . . 0.0 111.835 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -84.35 -64.49 1.15 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.432 1.093 . . . . 0.0 111.445 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -113.83 -5.69 13.25 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -162.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.284 1.4 tpp85 55.74 -127.61 2.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 169.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -91.02 -12.03 37.06 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 119.947 -1.721 . . . . 0.0 111.375 -165.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -64.68 -48.55 74.34 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.26 1.024 . . . . 0.0 111.868 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 pt -85.2 -45.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 121.388 -0.82 . . . . 0.0 112.58 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.39 -32.95 46.49 Favored 'Isoleucine or valine' 0 C--N 1.365 1.24 0 CA-C-O 123.451 1.596 . . . . 0.0 112.803 -160.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -43.69 -45.53 7.04 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 130.517 3.527 . . . . 0.0 114.391 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -67.77 119.54 12.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.528 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mmt-85 -61.99 -49.34 76.48 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -171.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.37 -34.0 55.14 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 121.018 -1.051 . . . . 0.0 113.763 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -62.07 -36.12 80.71 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -61.6 -63.79 1.16 Allowed 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.177 -1.577 . . . . 0.0 113.541 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -22.6 -63.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.616 2.767 . . . . 0.0 114.775 145.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.15 81.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 118.865 -2.397 . . . . 0.0 116.22 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.23 -42.81 93.02 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 125.179 1.392 . . . . 0.0 110.62 175.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.69 -38.1 77.51 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.929 -1.107 . . . . 0.0 112.387 173.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.66 -47.14 67.29 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.452 -1.405 . . . . 0.0 111.672 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -49.03 -56.25 9.54 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.43 -9.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.187 -1.571 . . . . 0.0 110.267 175.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.57 62.34 1.79 Allowed Glycine 0 CA--C 1.486 -1.748 0 O-C-N 121.383 -0.823 . . . . 0.0 114.167 158.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -89.43 129.53 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-O 124.678 2.18 . . . . 0.0 109.161 170.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -110.33 138.47 46.68 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 128.233 2.613 . . . . 0.0 109.34 -165.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.457 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 34.7 t60 -159.22 160.45 35.38 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 164.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 58.1 21.3 7.78 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 124.231 1.967 . . . . 0.0 113.608 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.56 3.05 90.12 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 126.571 2.034 . . . . 0.0 112.622 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -117.0 162.19 18.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.01 1.724 . . . . 0.0 109.289 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.553 ' H ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -79.29 132.32 36.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 153.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.393 4.0 pp -71.87 103.37 3.14 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 -161.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -85.15 -168.48 2.24 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 119.886 -1.759 . . . . 0.0 112.644 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.88 -42.34 93.53 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -163.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.28 -50.49 46.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 122.496 1.141 . . . . 0.0 112.135 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 m -63.85 -34.57 78.22 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.312 1.845 . . . . 0.0 113.134 -171.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.371 2.268 . . . . 0.0 112.092 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 120.403 -1.435 . . . . 0.0 112.023 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -53.46 -54.64 34.13 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.576 1.951 . . . . 0.0 112.887 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -32.36 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 119.993 -1.692 . . . . 0.0 112.956 -170.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.58 -23.98 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 125.763 1.625 . . . . 0.0 112.826 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 m -67.79 -43.01 80.73 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 119.469 -2.019 . . . . 0.0 114.131 161.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.21 -20.6 62.98 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 120.349 3.462 . . . . 0.0 120.349 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.32 144.95 37.68 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 119.448 -2.032 . . . . 0.0 112.04 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.6 p -74.47 174.15 9.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.278 -1.514 . . . . 0.0 113.901 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.91 -37.82 85.07 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 120.069 -1.645 . . . . 0.0 113.175 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.83 -51.11 69.58 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.761 -1.837 . . . . 0.0 113.787 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 3.2 m-20 -48.96 -55.0 13.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 125.671 2.653 . . . . 0.0 113.586 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -56.18 -51.56 67.59 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.722 2.809 . . . . 0.0 113.82 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -71.39 -35.28 71.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -174.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 m -52.0 -39.16 59.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.958 1.303 . . . . 0.0 114.053 165.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 119.348 -2.095 . . . . 0.0 113.15 169.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -50.18 -46.28 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.924 1.69 . . . . 0.0 112.365 171.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -62.85 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.09 1.756 . . . . 0.0 113.82 165.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.98 -51.61 63.49 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -171.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -131.84 68.3 1.5 Allowed 'General case' 0 CA--C 1.509 -0.631 0 O-C-N 120.791 -1.193 . . . . 0.0 109.436 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -53.48 -49.48 67.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.351 1.46 . . . . 0.0 113.956 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.06 -42.15 94.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.18 -27.63 55.31 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 119.66 -1.9 . . . . 0.0 112.242 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.8 -56.81 8.76 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.428 -1.042 . . . . 0.0 110.479 173.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.06 -44.53 41.84 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.149 2.18 . . . . 0.0 113.327 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.97 3.36 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 125.042 1.306 . . . . 0.0 113.749 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.62 -33.95 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 119.843 -1.974 . . . . 0.0 112.897 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -32.27 -57.15 0.33 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.493 2.317 . . . . 0.0 116.569 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -57.8 -62.6 1.69 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.554 1.942 . . . . 0.0 112.599 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -55.4 -38.9 69.51 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.267 1.427 . . . . 0.0 113.54 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.91 -61.4 2.33 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.101 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.0 -29.61 66.73 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.029 -1.67 . . . . 0.0 114.065 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.6 mtm -66.09 -51.43 58.08 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.668 -1.27 . . . . 0.0 112.692 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -85.3 -31.47 23.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.034 -1.041 . . . . 0.0 113.737 -171.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -65.5 118.87 10.08 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.067 -1.646 . . . . 0.0 113.74 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -41.29 130.57 2.88 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 129.329 3.052 . . . . 0.0 116.861 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 pttm . . . . . 0 C--N 1.347 0.473 0 O-C-N 119.883 -1.76 . . . . 0.0 114.094 -177.365 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.336 2.7 p30 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.15 -39.97 85.8 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 119.939 -1.726 . . . . 0.0 112.722 167.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.29 -55.45 28.12 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.68 1.127 . . . . 0.0 113.655 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -38.48 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.353 0.744 0 N-CA-C 119.277 3.065 . . . . 0.0 119.277 160.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 109.21 -27.29 12.9 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 120.742 -1.224 . . . . 0.0 112.143 -165.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -88.09 124.13 33.46 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.45 -1.03 . . . . 0.0 110.439 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 552' ' ' THR . . . . . 0.46 HG21 ' H ' ' B' ' 553' ' ' ALA . 0.2 OUTLIER -75.55 -171.06 1.4 Allowed 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.376 -1.453 . . . . 0.0 113.652 -172.196 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . 0.46 ' H ' HG21 ' B' ' 552' ' ' THR . . . -52.29 -57.24 10.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -76.03 -28.73 57.82 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.208 -1.557 . . . . 0.0 111.564 -165.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.33 -47.98 62.54 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.254 2.221 . . . . 0.0 112.342 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.44 -24.08 65.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 121.179 -0.951 . . . . 0.0 112.688 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -79.33 -44.9 20.69 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.719 -1.238 . . . . 0.0 109.281 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.72 -17.41 17.37 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.103 -1.623 . . . . 0.0 114.776 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 25.7 mt -68.32 -28.6 67.3 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.287 1.435 . . . . 0.0 112.541 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -73.85 0.12 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.834 1.254 . . . . 0.0 109.919 152.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 79.0 mtp -37.73 -46.92 0.94 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 119.908 3.299 . . . . 0.0 119.908 -169.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . 0.434 HH21 ' CD ' ' A' ' 10' ' ' GLU . 25.7 mmt180 -112.34 -38.13 4.78 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.761 1.225 . . . . 0.0 112.658 -172.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -93.74 -18.91 21.58 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 123.742 0.817 . . . . 0.0 110.445 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.14 79.55 Favored Glycine 0 C--N 1.348 1.203 0 C-N-CA 124.494 1.045 . . . . 0.0 115.196 174.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.24 132.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-O 121.876 0.846 . . . . 0.0 109.551 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -92.4 95.3 9.58 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.946 -1.096 . . . . 0.0 108.762 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.77 61.17 0.8 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 123.779 1.752 . . . . 0.0 111.647 168.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.42 -16.08 7.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.158 1.783 . . . . 0.0 113.419 -167.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 19.9 p -75.58 -103.88 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.03 136.27 50.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.485 2.714 . . . . 0.0 109.129 -168.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -126.2 152.62 45.79 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.836 1.303 . . . . 0.0 111.949 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 17.5 p -123.69 167.15 14.36 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 162.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.2 -19.51 46.85 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.203 -1.561 . . . . 0.0 109.685 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.83 -54.77 38.01 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 125.2 1.4 . . . . 0.0 112.66 159.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.41 -20.07 59.13 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.08 -42.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.278 -1.514 . . . . 0.0 110.535 161.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.55 -51.31 49.03 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 124.235 0.922 . . . . 0.0 114.259 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -71.24 -28.78 64.42 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 119.093 1.446 . . . . 0.0 110.956 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -18.64 63.64 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.755 -1.84 . . . . 0.0 113.27 170.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.4 -61.74 1.76 Allowed 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.204 -1.56 . . . . 0.0 112.035 173.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -22.18 -69.54 0.03 OUTLIER 'General case' 0 C--N 1.348 0.531 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 151.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.51 -63.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.126 0.97 . . . . 0.0 112.584 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 2.4 m -55.62 -34.73 65.16 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 118.424 2.75 . . . . 0.0 118.424 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -71.17 -49.97 38.26 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.026 -2.296 . . . . 0.0 111.997 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.79 -48.16 15.59 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.662 1.585 . . . . 0.0 112.874 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 172.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.54 -36.64 77.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.109 -1.619 . . . . 0.0 111.538 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -74.39 -19.29 60.48 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 119.559 -1.963 . . . . 0.0 110.696 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.67 -22.06 34.74 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.759 1.623 . . . . 0.0 113.653 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.36 -39.99 79.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 120.074 -1.641 . . . . 0.0 112.732 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.31 -57.08 6.5 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.148 2.579 . . . . 0.0 112.92 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.49 -49.59 3.96 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 130.384 3.474 . . . . 0.0 115.55 167.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -71.06 -45.75 63.23 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.239 1.415 . . . . 0.0 110.321 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.94 67.72 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.521 1.128 . . . . 0.0 113.816 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.78 2.4 5.46 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.181 -1.574 . . . . 0.0 114.906 168.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -97.17 -39.99 9.01 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.057 -2.277 . . . . 0.0 108.848 166.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.18 -48.94 71.68 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.145 -1.597 . . . . 0.0 114.403 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.7 tp -92.74 103.19 15.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.984 -1.072 . . . . 0.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -90.7 -6.05 54.98 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -68.81 145.23 96.7 Favored Pre-proline 0 C--N 1.348 0.516 0 O-C-N 120.341 -1.475 . . . . 0.0 111.449 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.233 0.26 0 C-N-CA 122.373 2.049 . . . . 0.0 113.385 -172.138 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptp . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -65.27 -13.78 59.18 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.733 -1.854 . . . . 0.0 114.092 167.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.46 -27.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 125.109 1.363 . . . . 0.0 111.492 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.98 -49.21 74.23 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.263 -1.523 . . . . 0.0 114.031 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 m -66.22 -41.72 89.68 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.089 1.356 . . . . 0.0 111.052 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -56.6 -55.47 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.566 1.146 . . . . 0.0 111.511 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -48.06 -46.23 33.29 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.93 1.692 . . . . 0.0 114.13 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -58.88 -59.94 4.65 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.382 1.473 . . . . 0.0 112.952 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -52.87 -47.61 52.0 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 126.402 1.881 . . . . 0.0 114.286 175.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.56 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.232 1.013 . . . . 0.0 111.134 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.5 m -55.44 -51.55 66.54 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.357 -1.464 . . . . 0.0 113.846 167.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.21 -30.78 41.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 119.846 -1.784 . . . . 0.0 111.262 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.23 -18.89 61.79 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 119.627 -1.921 . . . . 0.0 114.377 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.1 m -76.34 -57.62 3.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 123.215 1.483 . . . . 0.0 107.916 -169.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -20.78 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 129.659 3.184 . . . . 0.0 117.094 152.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 mt -52.39 -41.65 63.34 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.39 1.09 . . . . 0.0 113.592 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.41 -61.97 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 127.114 2.166 . . . . 0.0 109.823 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.35 -37.57 87.98 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.996 -1.69 . . . . 0.0 112.609 -164.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.35 -59.04 2.29 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 112.735 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.6 p -109.34 -11.28 14.87 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 60.09 -170.89 0.14 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 128.028 2.531 . . . . 0.0 117.255 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.34 -20.81 0.01 OUTLIER 'General case' 0 C--N 1.352 0.688 0 C-N-CA 130.396 3.478 . . . . 0.0 118.233 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.89 -51.77 66.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.15 -1.594 . . . . 0.0 113.549 170.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mt -83.56 -50.18 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 O-C-N 119.95 -1.719 . . . . 0.0 111.55 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -35.54 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 129.333 3.053 . . . . 0.0 116.002 164.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -39.2 -46.21 1.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.418 2.287 . . . . 0.0 117.084 169.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -98.5 122.95 42.34 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -165.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -58.09 -42.01 84.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.18 84.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -33.55 57.53 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 175.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -67.01 -59.88 3.1 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.069 -1.644 . . . . 0.0 111.76 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 34' ' ' ILE . 10.3 mt -30.84 -65.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.346 0.431 0 C-N-CA 128.459 2.703 . . . . 0.0 114.653 149.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.48 -33.01 63.31 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -42.11 60.04 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.635 1.174 . . . . 0.0 112.664 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.14 -35.99 81.95 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.142 -1.599 . . . . 0.0 111.743 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.38 -50.29 68.27 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 121.074 -1.016 . . . . 0.0 111.879 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.04 -54.88 2.18 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 128.058 2.543 . . . . 0.0 114.146 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.0 pt -87.65 -19.07 8.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.66 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.07 55.72 2.06 Favored Glycine 0 C--N 1.339 0.711 0 O-C-N 119.598 -1.939 . . . . 0.0 112.898 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 122.01 44.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 163.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -125.99 167.22 15.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.12 140.77 22.6 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 168.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.328 47.1 mt-10 75.43 8.87 3.79 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 122.997 2.635 . . . . 0.0 111.627 166.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.62 0.33 86.28 Favored Glycine 0 C--N 1.352 1.446 0 C-N-CA 126.313 1.911 . . . . 0.0 112.032 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.22 131.94 56.29 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 125.037 1.335 . . . . 0.0 110.7 -167.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -83.85 135.93 34.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.083 -1.635 . . . . 0.0 110.06 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.61 83.05 0.01 OUTLIER 'General case' 0 C--N 1.351 0.673 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -170.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -74.96 -177.19 3.22 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.921 -1.737 . . . . 0.0 112.607 161.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -65.9 -30.3 70.87 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.76 -53.67 25.39 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.791 -1.193 . . . . 0.0 111.283 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -55.57 -39.87 71.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 126.85 2.06 . . . . 0.0 112.53 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -61.45 2.57 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.161 1.385 . . . . 0.0 114.392 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -73.09 -25.41 60.87 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.321 -1.487 . . . . 0.0 111.916 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -50.63 -53.97 26.62 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -70.52 -15.99 19.46 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.34 -44.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 111.382 173.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -65.91 -63.32 1.11 Allowed 'General case' 0 C--O 1.237 0.443 0 C-N-CA 127.831 2.452 . . . . 0.0 114.639 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.57 75.38 9.1 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.844 2.259 . . . . 0.0 108.786 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 tp -131.31 140.4 49.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 112.83 -1.986 . . . . 0.0 107.402 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -67.62 143.46 56.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.182 1.393 . . . . 0.0 111.016 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -62.63 -43.4 98.9 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.609 -1.307 . . . . 0.0 112.734 173.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -60.34 -53.79 53.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 113.07 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.254 0.2 OUTLIER -81.28 -27.08 35.26 Favored 'General case' 0 C--N 1.364 1.226 0 O-C-N 121.065 -1.022 . . . . 0.0 113.607 -178.373 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -60.22 -34.61 73.9 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 122.256 2.298 . . . . 0.0 112.977 165.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -75.09 -26.4 59.27 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 121.002 -1.061 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . 0.272 28.5 p -55.51 -44.62 76.78 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.379 -1.45 . . . . 0.0 114.026 164.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.35 -46.49 90.01 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.978 -1.076 . . . . 0.0 112.079 172.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.66 -60.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.627 1.171 . . . . 0.0 112.905 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.01 -34.18 77.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.645 -1.91 . . . . 0.0 114.636 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -66.76 -56.5 10.21 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.703 -1.873 . . . . 0.0 112.403 172.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.59 70.55 0.75 Allowed 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.021 1.328 . . . . 0.0 110.509 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.59 -56.99 14.74 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.563 -1.335 . . . . 0.0 113.843 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.22 -26.7 59.14 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.68 4.25 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 120.274 -1.516 . . . . 0.0 113.592 -173.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.08 -56.17 8.54 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 119.879 -1.954 . . . . 0.0 110.396 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.78 -44.04 97.31 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.544 0.737 . . . . 0.0 111.747 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.72 -50.3 67.47 Favored Glycine 0 C--N 1.348 1.238 0 C-N-CA 123.847 0.737 . . . . 0.0 114.274 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.47 -43.18 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 O-C-N 119.078 -2.425 . . . . 0.0 111.145 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -36.79 85.51 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.301 -1.499 . . . . 0.0 112.404 -173.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -64.9 -49.1 71.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.777 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.16 -25.24 61.62 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 120.338 -1.476 . . . . 0.0 112.139 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.78 -36.84 78.79 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.222 -1.549 . . . . 0.0 114.319 167.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.3 -38.74 80.98 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.124 1.329 . . . . 0.0 111.507 169.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.0 ttp -68.61 -49.21 61.05 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.449 1.1 . . . . 0.0 113.795 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -80.22 -47.27 14.9 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.376 -1.453 . . . . 0.0 114.444 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.7 p -78.4 80.95 4.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.987 -1.696 . . . . 0.0 110.904 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -77.3 155.74 31.83 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.945 -1.722 . . . . 0.0 110.958 -172.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.0 pttt . . . . . 0 CA--C 1.517 -0.322 0 O-C-N 120.519 -1.363 . . . . 0.0 111.073 173.048 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.928 0.87 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 44.2 t -49.01 -49.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 C-N-CA 128.162 2.585 . . . . 0.0 113.454 172.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 2.2 mp -49.75 -48.3 50.29 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 126.014 1.726 . . . . 0.0 115.321 172.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.82 -34.33 52.03 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.911 -1.118 . . . . 0.0 111.439 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 130.2 -15.15 5.6 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.913 168.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.6 pp -91.96 131.71 37.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 123.368 1.556 . . . . 0.0 113.458 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 1.3 m -75.91 164.79 25.84 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.635 -1.916 . . . . 0.0 112.811 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.57 -48.32 1.41 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -57.29 -45.65 83.92 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.532 2.11 . . . . 0.0 111.511 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.47 -45.7 68.4 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 130.849 3.659 . . . . 0.0 111.788 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.88 82.08 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.107 1.432 . . . . 0.0 111.874 172.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.96 -44.23 77.21 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.754 1.621 . . . . 0.0 113.951 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.85 -25.0 37.32 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 119.781 -1.825 . . . . 0.0 113.019 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.37 -52.62 62.89 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 124.639 1.176 . . . . 0.0 111.218 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -72.41 -25.67 61.58 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 117.318 -1.325 . . . . 0.0 113.659 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 80.9 mtp -79.11 -54.85 5.58 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 123.66 2.936 . . . . 0.0 112.096 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -99.21 -56.48 2.41 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.217 1.407 . . . . 0.0 113.398 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.5 -26.61 66.43 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.633 -1.292 . . . . 0.0 112.96 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.35 38.56 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 117.077 1.591 . . . . 0.0 117.077 170.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.6 mt -106.15 128.88 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.585 2.193 . . . . 0.0 109.324 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.53 82.49 1.82 Allowed 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 120.79 -1.194 . . . . 0.0 112.49 -176.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -99.31 70.92 1.77 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.311 -1.493 . . . . 0.0 111.559 168.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.55 66.32 0.63 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 118.534 -2.604 . . . . 0.0 109.89 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 13.9 t -177.48 -179.69 0.86 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 125.596 1.559 . . . . 0.0 107.547 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -75.45 133.42 41.1 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 131.564 3.946 . . . . 0.0 111.8 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -128.86 156.81 43.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.865 0.84 . . . . 0.0 110.058 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 m -86.64 159.65 19.14 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.635 1.574 . . . . 0.0 109.022 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.67 -26.77 65.47 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.666 -1.897 . . . . 0.0 112.834 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.62 -55.94 27.68 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.43 1.892 . . . . 0.0 113.531 160.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.97 -43.88 94.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.161 2.184 . . . . 0.0 114.605 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 62.1 t -46.13 -50.23 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.753 1.221 . . . . 0.0 113.719 167.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -70.28 -36.51 70.57 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 120.803 -1.186 . . . . 0.0 113.912 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -79.01 -20.93 47.8 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 121.161 -1.199 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -77.02 -14.02 59.88 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.874 -1.766 . . . . 0.0 112.151 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.95 -67.35 0.61 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.053 1.741 . . . . 0.0 111.663 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -8.46 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 139.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.75 -64.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.743 0 C-N-CA 124.672 1.189 . . . . 0.0 112.382 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 9.5 m -41.85 -45.71 3.75 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 167.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -62.76 -45.12 94.18 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.224 -2.172 . . . . 0.0 112.143 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -50.01 -54.65 18.76 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.364 1.065 . . . . 0.0 111.874 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -56.5 -40.29 74.72 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.01 -39.04 80.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.952 -1.717 . . . . 0.0 110.718 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -74.86 -15.56 60.71 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.14 -2.225 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -79.16 -34.67 42.96 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.409 -1.432 . . . . 0.0 112.402 166.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.77 -46.65 79.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.641 -1.912 . . . . 0.0 112.835 167.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.252 2.221 . . . . 0.0 112.294 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.76 -47.43 20.76 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -79.35 -42.16 26.25 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.755 -0.59 . . . . 0.0 110.172 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.57 87.48 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.744 -1.222 . . . . 0.0 113.531 -177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.16 -5.56 45.02 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.957 1.703 . . . . 0.0 115.213 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -98.35 -34.81 10.53 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.976 1.71 . . . . 0.0 109.048 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.02 -36.97 67.08 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.247 -1.533 . . . . 0.0 114.198 171.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.0 tp -85.51 100.63 12.04 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.787 -1.196 . . . . 0.0 111.641 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -100.16 0.67 41.0 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 121.064 -1.023 . . . . 0.0 113.072 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -84.96 108.72 16.34 Favored Pre-proline 0 C--N 1.351 0.664 0 O-C-N 120.119 -1.613 . . . . 0.0 110.623 172.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo . . . . . 0 N--CA 1.457 -0.658 0 C-N-CA 122.182 1.922 . . . . 0.0 114.117 -158.023 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mttp . . . . . 0 CA--C 1.501 -0.935 0 CA-C-O 122.47 1.129 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -82.95 -31.72 27.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 120.913 -1.117 . . . . 0.0 109.087 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.01 -26.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 O-C-N 121.606 -0.684 . . . . 0.0 111.839 -167.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.5 -55.61 20.87 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 126.373 1.869 . . . . 0.0 112.624 168.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m -64.48 -43.19 94.93 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.758 1.623 . . . . 0.0 112.835 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -54.8 -53.14 35.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.703 1.601 . . . . 0.0 110.388 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -47.27 -40.39 16.59 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 126.988 2.115 . . . . 0.0 115.276 171.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.35 -58.18 5.86 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.815 -1.178 . . . . 0.0 110.166 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.41 -51.48 4.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 127.519 2.328 . . . . 0.0 113.13 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.84 -54.89 29.02 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 C-N-CA 124.945 1.298 . . . . 0.0 111.623 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.5 m -52.52 -49.6 64.49 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.149 1.379 . . . . 0.0 113.503 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -79.12 -17.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.851 1.31 . . . . 0.0 114.1 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.08 -16.25 30.06 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 119.751 -1.843 . . . . 0.0 111.148 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 t -74.42 -51.89 13.63 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.2 mt -30.68 -56.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 128.216 2.606 . . . . 0.0 114.831 162.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.62 -43.25 84.62 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.311 -1.493 . . . . 0.0 113.814 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.3 mm -61.46 -59.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 126.39 1.876 . . . . 0.0 109.533 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.49 -35.02 78.02 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.371 1.558 . . . . 0.0 112.01 -163.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -97.64 -59.54 1.75 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.712 1.605 . . . . 0.0 111.213 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -104.58 -6.53 20.44 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.753 -1.217 . . . . 0.0 113.354 -166.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 61.46 -140.7 0.49 Allowed 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -85.16 -8.42 58.61 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.365 -1.46 . . . . 0.0 112.646 -161.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -49.62 -62.04 1.78 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 129.017 2.927 . . . . 0.0 112.836 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -95.78 -27.72 4.05 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 120.15 -1.594 . . . . 0.0 112.084 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -54.96 -40.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 127.446 2.299 . . . . 0.0 114.986 167.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.71 -36.23 71.73 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.921 1.819 . . . . 0.0 113.106 173.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -79.88 99.41 7.54 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.341 -1.754 . . . . 0.0 108.929 -163.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -58.73 -42.71 89.4 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -172.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.25 -39.54 32.83 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 120.631 -1.293 . . . . 0.0 112.358 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.8 -42.71 72.14 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.909 1.284 . . . . 0.0 113.097 174.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -58.21 -57.88 10.92 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.04 1.736 . . . . 0.0 114.632 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -38.25 -63.55 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 129.665 3.186 . . . . 0.0 113.024 153.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -34.18 60.32 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 118.554 -2.591 . . . . 0.0 115.664 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -39.89 95.11 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 126.798 2.039 . . . . 0.0 112.58 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.03 -38.95 86.82 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.861 1.315 . . . . 0.0 112.34 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -74.23 -39.77 62.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 120.218 -1.551 . . . . 0.0 111.523 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -34.68 -58.57 0.5 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.765 2.426 . . . . 0.0 116.914 171.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -88.7 -13.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 121.507 0.67 . . . . 0.0 110.368 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.81 66.41 2.06 Favored Glycine 0 CA--C 1.494 -1.224 0 O-C-N 120.681 -1.262 . . . . 0.0 114.194 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -80.48 113.03 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 160.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -121.42 -173.8 2.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.323 1.874 . . . . 0.0 110.158 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -166.83 126.79 1.53 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 102.834 -3.025 . . . . 0.0 102.834 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.47 55.2 mt-10 80.5 -12.2 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 CA-C-N 125.841 3.928 . . . . 0.0 114.235 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.63 12.7 68.83 Favored Glycine 0 C--N 1.349 1.251 0 C-N-CA 124.154 0.883 . . . . 0.0 111.008 -163.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -90.48 137.92 31.97 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 122.563 1.173 . . . . 0.0 111.742 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.38 143.77 38.44 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.731 1.213 . . . . 0.0 109.503 157.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.55 92.96 6.9 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.039 -1.663 . . . . 0.0 109.436 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -75.71 175.92 8.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.734 -1.229 . . . . 0.0 109.777 160.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -43.14 -44.01 4.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -55.11 -62.47 1.64 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.33 1.852 . . . . 0.0 113.758 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -64.68 -35.72 81.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 O-C-N 121.019 -1.051 . . . . 0.0 112.692 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.96 -46.93 88.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.998 0.919 . . . . 0.0 112.688 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.71 -36.38 65.22 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.335 -1.478 . . . . 0.0 110.505 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -58.59 -46.09 87.7 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.541 1.536 . . . . 0.0 114.843 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.75 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 O-C-N 120.774 -1.204 . . . . 0.0 113.743 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.0 t -60.74 -42.6 92.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 126.682 1.993 . . . . 0.0 113.624 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.3 t -57.85 -52.92 63.51 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 119.726 -1.859 . . . . 0.0 114.393 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -87.47 8.17 26.01 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.806 1.184 . . . . 0.0 113.456 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.74 129.45 41.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.078 -1.639 . . . . 0.0 113.211 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -68.73 142.57 54.95 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 126.231 1.812 . . . . 0.0 113.288 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.51 -53.94 49.75 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.628 1.171 . . . . 0.0 112.578 -168.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -58.21 -37.88 75.68 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -78.56 -39.3 38.13 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.495 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.266 4.6 pttm -62.28 -35.46 79.08 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 123.009 2.64 . . . . 0.0 112.838 173.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.65 -45.01 72.9 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 122.236 1.017 . . . . 0.0 109.938 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.9 m -54.91 -38.12 67.23 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.828 2.051 . . . . 0.0 115.014 170.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.79 -42.04 97.82 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.701 -1.874 . . . . 0.0 111.375 172.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.34 -59.28 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.591 1.156 . . . . 0.0 112.379 167.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.62 -12.24 43.59 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 126.424 1.889 . . . . 0.0 114.71 -175.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.5 -61.54 2.42 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.937 -1.102 . . . . 0.0 111.91 162.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.325 0.0 OUTLIER 143.92 -19.29 0.0 OUTLIER 'General case' 0 C--N 1.361 1.069 0 C-N-CA 128.876 2.87 . . . . 0.0 114.624 172.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.49 127.58 28.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 -163.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.87 -27.43 68.79 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.33 1.852 . . . . 0.0 113.301 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.92 -18.28 59.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.385 -1.447 . . . . 0.0 111.046 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -72.6 -60.4 2.25 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 121.366 -1.079 . . . . 0.0 108.964 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -59.38 -31.84 69.59 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.121 -0.987 . . . . 0.0 113.516 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.0 -61.26 5.87 Favored Glycine 0 C--N 1.351 1.41 0 C-N-CA 125.609 1.576 . . . . 0.0 114.349 167.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.68 -41.0 71.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 CA-C-N 120.699 2.25 . . . . 0.0 111.74 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.06 -65.37 0.3 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.92 1.688 . . . . 0.0 114.25 166.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -63.71 -35.63 81.19 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -81.32 -30.76 33.77 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.413 -1.43 . . . . 0.0 112.146 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.7 tp -56.17 -50.16 71.96 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.382 1.473 . . . . 0.0 112.695 171.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -56.64 -48.19 78.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.064 1.346 . . . . 0.0 112.516 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 46.6 ttp -69.91 -58.05 4.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.022 1.329 . . . . 0.0 113.209 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -77.1 -38.17 52.8 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.542 -1.349 . . . . 0.0 114.485 -173.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.7 p -90.53 125.06 35.49 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.21 -1.556 . . . . 0.0 113.411 -168.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -104.9 164.69 11.6 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 167.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.452 -0.37 0 O-C-N 119.789 -1.819 . . . . 0.0 112.671 177.384 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 29.5 t -76.76 -35.29 24.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 112.71 168.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 28.6 tp -69.03 -65.54 0.69 Allowed 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.617 -1.302 . . . . 0.0 112.435 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -31.8 -59.14 0.27 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 149.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 80.08 42.62 10.6 Favored Glycine 0 C--N 1.346 1.084 0 C-N-CA 126.085 1.803 . . . . 0.0 112.254 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.8 pp -127.45 157.59 39.63 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.955 2.378 . . . . 0.0 104.698 -168.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.8 m -87.49 146.62 25.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.895 0.855 . . . . 0.0 111.211 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.8 57.74 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.359 -2.088 . . . . 0.0 114.058 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -69.05 -29.38 67.51 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.818 -1.176 . . . . 0.0 113.392 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.92 -42.85 69.34 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.398 1.479 . . . . 0.0 110.16 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.03 89.57 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.597 1.159 . . . . 0.0 112.266 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -49.94 -67.49 0.26 Allowed 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.931 1.292 . . . . 0.0 114.054 166.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.0 p -68.03 -22.58 27.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.146 0 O-C-N 119.941 -1.725 . . . . 0.0 114.598 -173.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.68 -51.99 67.02 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 125.497 1.519 . . . . 0.0 110.591 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -77.03 -20.86 55.41 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 74.2 mtm -75.18 -56.64 4.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 123.348 2.794 . . . . 0.0 114.419 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -104.21 -47.45 4.14 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.564 -1.335 . . . . 0.0 114.278 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -70.07 -26.5 64.03 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.835 -1.165 . . . . 0.0 111.927 -173.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.14 35.21 39.03 Favored Glycine 0 CA--C 1.496 -1.094 0 C-N-CA 125.037 1.303 . . . . 0.0 113.143 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -117.36 124.92 73.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 171.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.3 111.97 20.37 Favored 'General case' 0 N--CA 1.443 -0.801 0 O-C-N 120.7 -1.25 . . . . 0.0 113.036 -170.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 51.0 mtt -115.52 55.3 0.78 Allowed 'General case' 0 C--N 1.368 1.37 0 CA-C-N 120.118 1.326 . . . . 0.0 109.05 168.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -113.34 -39.39 4.14 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -165.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 74.7 p -74.53 -122.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 123.899 1.809 . . . . 0.0 115.538 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -110.45 117.14 32.77 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 129.062 2.945 . . . . 0.0 104.633 171.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.3 150.08 40.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -169.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.1 p -117.08 172.86 7.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.307 1.443 . . . . 0.0 110.234 -174.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.6 pp -45.12 -40.85 7.34 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 157.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -74.76 -50.62 16.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.591 1.556 . . . . 0.0 111.126 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . 0.334 5.5 mt-10 -63.93 -37.18 86.46 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 34.2 m -54.94 -44.12 71.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 122.385 2.357 . . . . 0.0 113.283 169.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.49 -38.58 96.57 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 124.581 1.086 . . . . 0.0 112.753 176.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -71.6 -37.99 70.92 Favored 'General case' 0 C--N 1.369 1.431 0 CA-C-O 123.037 1.399 . . . . 0.0 107.722 -172.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -72.46 -27.19 62.15 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.836 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -54.81 42.58 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.07 1.304 . . . . 0.0 112.919 168.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -60.66 2.61 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 116.932 2.197 . . . . 0.0 116.932 163.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.58 -61.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 126.275 1.83 . . . . 0.0 112.989 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.44 -36.46 6.58 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 118.221 2.674 . . . . 0.0 118.221 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -70.04 -38.68 75.91 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 121.112 1.778 . . . . 0.0 110.058 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -62.56 -49.2 76.23 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.648 -1.16 . . . . 0.0 113.346 171.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -63.18 -32.65 74.1 Favored 'General case' 0 C--N 1.361 1.096 0 O-C-N 120.305 -1.497 . . . . 0.0 112.017 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 10.1 mt -58.99 -42.1 85.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 O-C-N 119.523 -1.986 . . . . 0.0 111.302 167.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -73.13 -17.78 61.36 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 123.034 2.652 . . . . 0.0 111.08 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.89 -42.72 60.28 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.102 -1.624 . . . . 0.0 111.886 168.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.99 -49.64 37.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 C-N-CA 125.268 1.427 . . . . 0.0 113.072 163.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.48 -51.83 65.66 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 125.558 1.543 . . . . 0.0 112.346 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.83 20.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.711 1.604 . . . . 0.0 114.727 170.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -76.16 -19.15 58.73 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.095 -1.628 . . . . 0.0 112.312 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -82.44 -38.71 23.61 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.167 1.387 . . . . 0.0 110.629 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.55 -9.42 58.66 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.124 -1.61 . . . . 0.0 114.439 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.5 mtm105 -88.26 -24.29 23.26 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.192 -1.568 . . . . 0.0 110.395 167.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -77.94 -40.93 37.99 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.051 -1.656 . . . . 0.0 113.964 165.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.2 tp -82.56 72.17 9.63 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-O 123.38 1.562 . . . . 0.0 110.984 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -67.3 -41.77 84.83 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 125.595 1.558 . . . . 0.0 113.174 170.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -47.71 108.71 0.95 Allowed Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 114.833 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 CA-C-N 121.642 1.622 . . . . 0.0 112.893 -162.589 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 tttp . . . . . 0 N--CA 1.438 -1.064 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -60.46 -30.94 69.99 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.844 -1.785 . . . . 0.0 112.117 173.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.18 -37.79 80.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 124.183 0.993 . . . . 0.0 111.135 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.573 1.149 . . . . 0.0 112.996 173.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -64.25 -43.16 95.75 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.901 -1.75 . . . . 0.0 110.751 170.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.61 -50.91 77.4 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 125.135 1.374 . . . . 0.0 111.1 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -49.2 -41.04 35.67 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 126.387 1.875 . . . . 0.0 114.834 169.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -65.07 -51.19 62.88 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 120.992 -1.067 . . . . 0.0 111.638 171.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -48.08 -47.16 13.11 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 124.655 1.182 . . . . 0.0 113.265 171.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.04 -55.14 23.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 120.939 -1.101 . . . . 0.0 109.762 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.1 m -53.68 -51.64 62.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 126.281 1.832 . . . . 0.0 112.973 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -77.07 -27.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 O-C-N 120.546 -1.346 . . . . 0.0 111.586 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.52 69.94 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 119.137 -2.227 . . . . 0.0 111.457 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -67.65 -32.94 73.96 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 125.37 2.509 . . . . 0.0 108.962 -169.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.86 -57.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 130.923 3.689 . . . . 0.0 110.774 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.96 -47.54 74.37 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 123.388 1.566 . . . . 0.0 113.187 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.46 -64.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.795 0 C-N-CA 126.498 1.919 . . . . 0.0 112.474 175.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.36 -19.48 59.55 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 118.075 -2.89 . . . . 0.0 114.301 -164.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -88.58 -52.11 5.34 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.662 0.785 . . . . 0.0 111.61 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -101.11 16.52 25.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 120.14 -1.6 . . . . 0.0 109.619 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.297 2.4 ttm180 46.29 -105.75 0.12 Allowed 'General case' 0 C--N 1.362 1.12 0 CA-C-N 120.439 1.472 . . . . 0.0 113.797 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.94 -4.08 9.63 Favored 'General case' 0 N--CA 1.42 -1.934 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -172.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -60.03 -43.59 95.22 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -166.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 pt -92.95 -22.55 5.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 O-C-N 118.22 -2.8 . . . . 0.0 112.105 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.0 -43.37 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 C-N-CA 127.413 2.285 . . . . 0.0 114.082 -163.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -46.38 -55.24 7.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 131.69 3.996 . . . . 0.0 113.992 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -65.22 102.76 0.69 Allowed 'General case' 0 C--N 1.354 0.773 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.958 -170.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -61.26 -47.46 85.95 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.058 -1.651 . . . . 0.0 115.251 -163.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.57 74.33 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.238 -1.539 . . . . 0.0 113.448 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.13 72.46 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.485 -1.384 . . . . 0.0 113.071 171.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.88 -54.03 47.62 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.089 -1.632 . . . . 0.0 113.833 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -40.72 -62.25 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 130.44 3.496 . . . . 0.0 113.61 156.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.78 69.1 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 119.212 -2.18 . . . . 0.0 116.023 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.35 -35.51 79.52 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 123.766 0.827 . . . . 0.0 110.939 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.23 -41.43 90.09 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.849 -1.157 . . . . 0.0 111.288 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -69.08 -51.99 33.02 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.298 -1.501 . . . . 0.0 110.65 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -25.98 -55.0 0.06 Allowed 'General case' 0 C--N 1.349 0.573 0 C-N-CA 129.511 3.124 . . . . 0.0 118.371 169.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.8 -3.94 10.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 120.441 -1.412 . . . . 0.0 113.177 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 57.86 2.26 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 120.406 -1.434 . . . . 0.0 114.446 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -99.42 100.63 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -125.81 -166.84 1.61 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.755 1.264 . . . . 0.0 108.991 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -173.9 129.9 0.4 Allowed 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 173.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.447 45.5 mt-10 63.3 13.98 7.45 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.122 -2.236 . . . . 0.0 115.371 -169.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.86 -38.71 3.0 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -61.07 107.91 0.8 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.894 0.878 . . . . 0.0 112.897 -171.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 146.18 54.87 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 119.36 -2.087 . . . . 0.0 110.103 171.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.05 86.6 3.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 120.122 -1.611 . . . . 0.0 114.512 -158.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -75.9 168.99 19.01 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.535 1.134 . . . . 0.0 107.975 166.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.96 -24.44 66.8 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 120.567 -1.333 . . . . 0.0 114.188 -164.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -61.04 -58.03 10.12 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.521 -1.362 . . . . 0.0 112.936 165.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -67.54 -36.06 80.26 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 128.117 2.567 . . . . 0.0 112.881 -172.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -59.43 -49.88 76.09 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.535 1.134 . . . . 0.0 112.483 171.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -79.23 -30.65 43.32 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.221 -1.549 . . . . 0.0 113.59 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -50.29 -33.98 21.85 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.389 1.075 . . . . 0.0 113.78 166.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 28.9 pt -87.34 -62.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 116.563 -1.684 . . . . 0.0 113.605 165.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.86 -25.08 21.72 Favored 'Isoleucine or valine' 0 C--N 1.382 2.012 0 CA-C-N 123.288 2.767 . . . . 0.0 111.329 -150.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -91.82 -21.04 20.87 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.085 -1.009 . . . . 0.0 112.602 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.1 77.13 5.35 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 124.043 1.878 . . . . 0.0 108.97 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.2 mt -115.78 142.38 46.84 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 126.908 2.083 . . . . 0.0 106.613 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -82.97 160.91 21.93 Favored 'General case' 0 C--N 1.342 0.273 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -77.05 -37.78 54.05 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.39 -2.069 . . . . 0.0 113.25 -167.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.26 -53.74 52.28 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 126.04 1.736 . . . . 0.0 113.593 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -46.12 -63.16 1.05 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 129.387 3.075 . . . . 0.0 115.513 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -51.1 -47.54 61.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 128.338 2.655 . . . . 0.0 114.28 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.12 -38.04 87.19 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 124.322 2.011 . . . . 0.0 107.879 -170.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -59.9 -44.75 94.07 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.956 2.103 . . . . 0.0 112.951 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.86 -32.11 72.43 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.86 -1.775 . . . . 0.0 113.622 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.64 -54.36 26.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.574 1.55 . . . . 0.0 111.024 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -39.14 68.04 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.031 1.732 . . . . 0.0 115.013 172.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.17 -50.76 13.7 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.816 -1.178 . . . . 0.0 113.683 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -116.73 74.93 0.93 Allowed 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.535 -1.353 . . . . 0.0 110.587 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -64.42 -45.84 85.82 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 120.205 -1.559 . . . . 0.0 113.188 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.91 -22.35 24.43 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.521 -0.737 . . . . 0.0 111.578 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.13 -33.65 14.31 Favored Glycine 0 C--N 1.357 1.714 0 O-C-N 119.614 -1.929 . . . . 0.0 113.202 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.63 -48.09 61.16 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.957 -1.319 . . . . 0.0 109.981 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.58 -43.49 84.61 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.995 1.318 . . . . 0.0 114.056 168.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.87 60.6 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 125.89 1.71 . . . . 0.0 114.554 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.48 -53.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 124.826 1.25 . . . . 0.0 113.024 173.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -28.85 -63.08 0.11 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.321 2.249 . . . . 0.0 115.654 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -57.38 -38.21 73.87 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.282 1.7 p90 -80.43 -31.25 37.61 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.844 -1.785 . . . . 0.0 112.137 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.29 -55.13 31.23 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.85 -1.156 . . . . 0.0 112.156 173.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.27 -37.66 83.94 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.584 1.154 . . . . 0.0 113.528 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.0 -63.6 1.07 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.215 1.006 . . . . 0.0 113.546 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.45 -32.88 28.74 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.756 -1.215 . . . . 0.0 113.807 -169.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 p -98.82 87.37 3.73 Favored 'General case' 0 CA--C 1.504 -0.793 0 O-C-N 120.713 -1.242 . . . . 0.0 112.197 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.77 124.5 30.96 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -169.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm . . . . . 0 C--N 1.364 1.236 0 C-N-CA 128.097 2.559 . . . . 0.0 109.658 170.448 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.261 2.1 p30 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.22 -45.74 13.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 168.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.57 -50.03 73.13 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.099 -1.626 . . . . 0.0 114.071 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -73.13 -37.02 66.8 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.014 -1.054 . . . . 0.0 113.114 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.77 -18.93 7.07 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 120.248 -1.533 . . . . 0.0 113.417 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.12 134.72 41.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.601 1.56 . . . . 0.0 111.833 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 7.6 p -88.91 178.22 6.48 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 124.077 1.894 . . . . 0.0 115.729 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -46.69 -23.33 0.4 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.35 2.26 . . . . 0.0 116.805 156.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -71.17 -54.2 11.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.898 1.809 . . . . 0.0 111.295 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -54.3 -45.79 72.63 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.927 2.091 . . . . 0.0 113.273 172.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.3 -28.11 69.79 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.284 1.034 . . . . 0.0 113.255 174.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -70.43 -44.88 66.98 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.009 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.12 -47.29 93.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 CA-C-O 122.706 1.241 . . . . 0.0 111.682 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 69.2 mt -53.48 -36.0 61.2 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.875 2.07 . . . . 0.0 113.729 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 32.1 tpt85 -66.39 -39.49 89.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 125.339 2.495 . . . . 0.0 111.527 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.8 mtt -101.6 -62.75 1.22 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 111.122 -2.763 . . . . 0.0 112.005 -162.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -81.85 -46.15 14.54 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.085 0.945 . . . . 0.0 110.307 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.31 -31.31 63.95 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.2 47.14 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 125.218 1.389 . . . . 0.0 113.487 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 97.4 mt -107.7 132.05 56.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 119.071 1.435 . . . . 0.0 107.901 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -80.11 99.9 7.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.964 1.306 . . . . 0.0 112.74 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.6 mtp -113.61 38.85 2.8 Favored 'General case' 0 C--N 1.369 1.446 0 O-C-N 119.965 -1.709 . . . . 0.0 110.463 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -107.82 -10.86 15.49 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.981 1.312 . . . . 0.0 112.127 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 57.4 p -84.85 -175.02 5.59 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 123.129 1.442 . . . . 0.0 111.887 172.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.12 125.73 24.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.242 2.217 . . . . 0.0 112.035 160.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -119.16 118.47 31.45 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.656 1.183 . . . . 0.0 107.915 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 67.3 p -79.8 169.34 18.07 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.783 167.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.52 -26.55 58.16 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.154 -1.591 . . . . 0.0 112.27 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.44 -35.6 73.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.158 -1.589 . . . . 0.0 111.885 166.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.75 -39.03 84.22 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 119.386 -2.071 . . . . 0.0 114.209 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.23 -53.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.671 -1.268 . . . . 0.0 112.29 161.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.75 73.43 Favored Glycine 0 C--N 1.353 1.527 0 C-N-CA 125.205 1.383 . . . . 0.0 115.406 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -67.45 -38.22 84.16 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.219 -1.754 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -69.43 -19.33 63.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.736 -1.227 . . . . 0.0 112.19 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.12 -53.48 37.33 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.669 -1.27 . . . . 0.0 110.945 170.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.49 -26.55 60.08 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.193 -1.567 . . . . 0.0 112.695 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.08 -50.96 33.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 123.799 0.84 . . . . 0.0 112.141 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . 0.256 1.5 t -57.59 -36.01 71.15 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 118.753 -2.467 . . . . 0.0 116.184 167.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -59.93 -45.8 91.43 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.78 -1.825 . . . . 0.0 112.022 169.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -50.38 -55.1 17.17 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.817 1.247 . . . . 0.0 113.709 165.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -51.31 -42.52 61.24 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.054 -1.029 . . . . 0.0 113.427 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.1 -38.76 76.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 121.175 1.807 . . . . 0.0 112.858 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -69.32 -25.59 64.29 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.852 -1.78 . . . . 0.0 110.904 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -78.23 -14.29 59.5 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 119.839 -1.788 . . . . 0.0 111.795 170.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.0 mt -76.28 -40.46 35.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 O-C-N 118.515 -2.616 . . . . 0.0 107.496 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.74 -39.97 90.66 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 126.698 1.999 . . . . 0.0 110.936 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -37.26 -52.4 1.06 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 166.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -87.08 -31.96 20.2 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.339 1.543 . . . . 0.0 111.055 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.86 80.09 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.002 -1.061 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -77.98 12.28 1.86 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 163.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -97.89 -43.58 7.05 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 119.778 -1.826 . . . . 0.0 106.667 160.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -65.27 -47.28 77.23 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.369 -1.457 . . . . 0.0 114.094 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 16.2 tp -85.89 99.1 11.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.216 -0.928 . . . . 0.0 109.657 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -80.28 -26.78 38.74 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.238 1.415 . . . . 0.0 111.724 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -54.92 146.44 37.83 Favored Pre-proline 0 C--N 1.355 0.807 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo . . . . . 0 N--CA 1.462 -0.351 0 C-N-CA 122.29 1.994 . . . . 0.0 114.592 179.206 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -60.3 -23.31 64.09 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.523 -1.986 . . . . 0.0 114.302 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.98 -36.57 51.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 120.791 -1.193 . . . . 0.0 111.471 -171.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.61 -49.74 45.62 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 127.142 2.177 . . . . 0.0 115.212 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -71.28 -39.49 71.51 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.607 -1.308 . . . . 0.0 111.256 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -57.38 -52.43 56.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.009 -1.057 . . . . 0.0 112.041 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -53.1 -39.35 63.34 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.977 -1.702 . . . . 0.0 114.481 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -61.56 -55.06 35.05 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 125.303 1.441 . . . . 0.0 112.164 172.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.01 -49.51 15.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 C-N-CA 127.296 2.238 . . . . 0.0 113.736 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.75 -51.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.584 1.154 . . . . 0.0 110.896 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.2 m -56.75 -51.52 68.56 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.751 1.22 . . . . 0.0 113.019 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.04 -22.56 15.82 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.656 -1.278 . . . . 0.0 112.452 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.75 60.2 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 119.781 -1.825 . . . . 0.0 112.387 167.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 m -80.77 -49.84 10.62 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mt -32.67 -52.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 130.151 3.38 . . . . 0.0 114.777 162.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.37 -45.04 80.68 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 122.741 1.257 . . . . 0.0 113.151 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.4 mm -68.66 -57.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 125.799 1.64 . . . . 0.0 109.297 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -73.74 -40.05 63.81 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.224 -2.173 . . . . 0.0 111.702 -160.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -73.75 -52.55 12.82 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.577 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -110.89 -27.81 8.65 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.35 -1.469 . . . . 0.0 113.98 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.492 28.8 mmt180 87.92 -115.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.999 2.519 . . . . 0.0 113.987 -174.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -99.05 17.27 20.16 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.714 -1.241 . . . . 0.0 114.17 -167.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -71.45 -63.64 1.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -79.82 -32.94 14.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.259 -1.526 . . . . 0.0 108.63 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.43 -47.44 58.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.695 1.598 . . . . 0.0 113.512 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.8 -58.61 7.37 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -73.58 118.62 16.76 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.844 -164.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -69.4 -41.12 76.84 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.777 -1.202 . . . . 0.0 114.07 -163.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.88 70.22 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.709 0.804 . . . . 0.0 110.992 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.99 -33.26 70.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.933 1.693 . . . . 0.0 114.761 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -68.02 -61.75 1.72 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.717 1.207 . . . . 0.0 112.922 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.6 mt -35.01 -61.01 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 129.551 3.14 . . . . 0.0 114.147 148.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.38 51.27 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 118.386 -2.696 . . . . 0.0 115.935 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -41.05 68.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 126.014 1.726 . . . . 0.0 110.879 -178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.0 mt -64.18 -48.84 74.4 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-O 121.682 0.753 . . . . 0.0 110.557 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.27 -53.33 58.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.439 1.496 . . . . 0.0 114.07 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -43.06 -51.72 5.65 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 118.218 2.673 . . . . 0.0 118.218 167.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.97 -5.18 9.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 120.196 -1.565 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.65 48.72 7.04 Favored Glycine 0 CA--C 1.495 -1.17 0 O-C-N 121.06 -1.025 . . . . 0.0 113.683 170.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -80.12 118.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 165.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.4 p -153.3 130.74 11.36 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 123.536 0.734 . . . . 0.0 110.884 -173.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -111.91 143.36 43.0 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.63 -1.294 . . . . 0.0 110.988 170.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 54.42 22.22 3.71 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.045 1.738 . . . . 0.0 114.909 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.3 -7.48 75.52 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 119.7 -1.875 . . . . 0.0 114.917 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -101.86 135.69 42.98 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 118.378 1.089 . . . . 0.0 110.23 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -77.08 128.43 34.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 120.563 -1.336 . . . . 0.0 110.239 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.328 0.7 OUTLIER -79.12 98.27 6.48 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 119.33 -2.106 . . . . 0.0 116.145 -172.001 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -71.33 179.4 2.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.729 153.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -57.79 -35.8 71.3 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.18 -55.83 27.68 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.837 -1.165 . . . . 0.0 113.651 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.3 t -63.63 -43.54 96.52 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.968 0.907 . . . . 0.0 112.56 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.77 -52.0 61.61 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 125.82 1.648 . . . . 0.0 113.854 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -77.36 -33.46 55.29 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.625 -1.297 . . . . 0.0 113.112 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -59.64 -50.7 72.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.354 1.461 . . . . 0.0 113.338 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -36.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.765 -1.209 . . . . 0.0 112.48 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.4 t -79.44 -16.58 13.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.491 0 O-C-N 119.193 -2.192 . . . . 0.0 109.532 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.8 t -80.95 -26.21 36.81 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 126.853 2.061 . . . . 0.0 113.165 170.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -54.57 -23.87 18.61 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 120.913 3.671 . . . . 0.0 120.913 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.36 160.46 26.7 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -174.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 p -81.97 -178.22 6.92 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.202 -1.561 . . . . 0.0 113.333 -175.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.22 -51.04 61.52 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.971 1.308 . . . . 0.0 112.65 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.53 -42.7 97.02 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 124.057 0.943 . . . . 0.0 112.8 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.257 18.3 m-20 -51.2 -59.87 3.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 123.261 1.505 . . . . 0.0 114.416 173.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.5 -40.39 96.96 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.38 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -66.95 -39.73 87.35 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 123.52 0.728 . . . . 0.0 109.802 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -54.65 -48.08 72.74 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.08 0.855 . . . . 0.0 113.154 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.58 -49.0 70.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.089 -1.007 . . . . 0.0 113.193 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.5 mt -46.31 -56.06 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.042 1.737 . . . . 0.0 111.682 166.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -40.57 96.7 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 120.932 -1.105 . . . . 0.0 113.632 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.34 -52.18 36.17 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.964 0.906 . . . . 0.0 112.427 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.55 92.02 3.53 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.855 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -74.28 -47.03 37.53 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.289 1.036 . . . . 0.0 111.438 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -68.52 -37.02 79.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.709 -1.244 . . . . 0.0 111.483 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.76 -64.51 4.24 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 125.132 1.349 . . . . 0.0 114.978 171.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -71.1 -58.19 3.8 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.871 -1.37 . . . . 0.0 112.322 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -68.6 -27.55 66.14 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 121.565 -0.71 . . . . 0.0 112.852 -172.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.54 51.81 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 121.869 -0.519 . . . . 0.0 112.867 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -72.24 -47.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.076 -1.838 . . . . 0.0 113.138 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -26.58 -66.59 0.06 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 155.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.3 ttm105 -68.34 -44.88 74.33 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.931 0.892 . . . . 0.0 113.221 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.365 0.2 OUTLIER -69.55 -41.79 75.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.509 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.03 -41.35 83.02 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.826 -1.171 . . . . 0.0 112.746 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -74.72 -31.28 61.79 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.03 -30.35 18.78 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -73.78 -13.11 60.89 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.265 -1.522 . . . . 0.0 113.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -89.08 114.75 26.02 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.269 -1.52 . . . . 0.0 111.314 168.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -92.32 107.74 19.44 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 122.199 0.999 . . . . 0.0 110.988 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--N 1.353 0.73 0 C-N-CA 128.776 2.831 . . . . 0.0 117.05 166.799 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.975 0.416 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.52 -34.12 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 120.358 -1.464 . . . . 0.0 112.906 170.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 78.1 mt -75.43 -52.92 9.6 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.209 -1.557 . . . . 0.0 114.772 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -30.29 -58.38 0.19 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 117.644 2.461 . . . . 0.0 117.644 144.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 84.61 59.58 1.99 Allowed Glycine 0 CA--C 1.487 -1.702 0 C-N-CA 127.304 2.383 . . . . 0.0 111.245 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.02 148.55 45.23 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-N 121.154 2.477 . . . . 0.0 104.653 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 5.9 m -76.63 152.85 35.71 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.24 -0.913 . . . . 0.0 111.131 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.95 -33.5 62.37 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 118.86 -2.4 . . . . 0.0 114.331 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -63.47 -33.83 76.44 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.556 -1.34 . . . . 0.0 112.645 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.34 -41.58 66.32 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 125.554 1.541 . . . . 0.0 109.949 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.31 99.09 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.215 -0.928 . . . . 0.0 111.891 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -48.45 -61.59 1.93 Allowed 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.887 1.675 . . . . 0.0 115.467 168.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.51 -25.93 34.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 O-C-N 119.399 -2.063 . . . . 0.0 115.029 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.62 -49.11 64.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 110.373 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -72.1 -8.66 55.89 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 171.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.2 mtm -91.84 -65.66 0.99 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.642 -1.911 . . . . 0.0 111.534 171.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -94.64 -40.66 9.7 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.402 1.081 . . . . 0.0 112.996 -167.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -78.52 -21.99 48.02 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.879 -1.138 . . . . 0.0 111.246 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.11 16.71 57.29 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.43 1.014 . . . . 0.0 114.164 173.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 76.8 mt -102.4 121.53 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -80.85 126.0 30.8 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 120.779 -1.201 . . . . 0.0 109.296 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 15.5 ptp -142.01 52.57 1.48 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.038 0.923 . . . . 0.0 109.802 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -107.5 -20.9 13.1 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 122.277 1.037 . . . . 0.0 110.871 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 1.2 t -91.32 169.78 10.52 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.266 1.826 . . . . 0.0 109.815 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.49 113.29 1.54 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.381 2.272 . . . . 0.0 115.444 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -118.47 80.79 1.58 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.715 1.721 . . . . 0.0 108.997 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -72.41 161.37 30.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 120.654 -1.278 . . . . 0.0 111.384 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.09 -28.56 58.19 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -167.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -70.55 -41.16 72.85 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 119.517 -1.989 . . . . 0.0 111.575 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -69.9 -34.93 74.17 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 128.911 2.884 . . . . 0.0 112.133 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.38 -44.75 84.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.286 -1.509 . . . . 0.0 112.698 169.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -57.99 -48.75 80.62 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 121.103 -0.998 . . . . 0.0 114.038 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -51.92 -48.48 64.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.318 2.247 . . . . 0.0 115.662 163.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -23.86 62.34 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 118.266 -2.771 . . . . 0.0 113.699 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -53.35 14.55 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.481 1.112 . . . . 0.0 113.276 175.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -39.15 -58.8 1.1 Allowed 'General case' 0 C--N 1.349 0.557 0 C-N-CA 126.66 1.984 . . . . 0.0 115.762 159.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.69 -47.81 84.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 C-N-CA 124.406 1.082 . . . . 0.0 111.91 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 29.1 m -49.61 -43.92 46.83 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 167.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -67.34 -42.86 82.85 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 119.886 -1.759 . . . . 0.0 110.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -52.21 -53.43 43.55 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.956 1.302 . . . . 0.0 110.678 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -57.59 -43.52 84.68 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 120.857 1.662 . . . . 0.0 111.088 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -58.48 -47.93 86.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 120.616 -1.303 . . . . 0.0 114.024 172.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -72.6 -22.37 60.98 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-N 123.742 2.974 . . . . 0.0 110.488 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -68.43 -40.01 81.32 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 119.998 -1.689 . . . . 0.0 114.162 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 98.6 mt -58.88 -50.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.649 -1.282 . . . . 0.0 113.529 165.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.81 -48.8 72.32 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.523 1.929 . . . . 0.0 112.399 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.35 17.68 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.077 1.751 . . . . 0.0 114.391 167.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -73.02 -34.12 66.15 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.826 -1.171 . . . . 0.0 111.943 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.47 78.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.622 1.169 . . . . 0.0 111.636 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.14 -6.31 41.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -92.91 -33.66 14.11 Favored 'General case' 0 C--N 1.345 0.37 0 O-C-N 120.103 -1.623 . . . . 0.0 109.719 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.14 -24.61 62.3 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.759 -1.838 . . . . 0.0 112.284 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.84 125.37 23.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.634 -1.292 . . . . 0.0 114.485 162.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -103.47 -48.23 4.04 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 120.173 -1.579 . . . . 0.0 110.408 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -86.9 103.97 5.18 Favored Pre-proline 0 N--CA 1.444 -0.753 0 CA-C-O 117.308 -1.33 . . . . 0.0 109.326 172.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 CA-C-N 124.226 2.545 . . . . 0.0 110.426 178.724 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -84.91 153.43 22.86 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 118.768 -2.458 . . . . 0.0 116.301 -154.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -52.35 58.67 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.953 -1.022 . . . . 0.0 112.619 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -69.91 -35.65 65.59 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 121.579 -0.701 . . . . 0.0 112.53 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -56.83 -43.73 81.34 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 119.952 -1.717 . . . . 0.0 111.925 170.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -65.11 -47.9 75.56 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.129 0.972 . . . . 0.0 111.987 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -53.79 -50.74 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 111.706 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -50.58 -48.83 57.53 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.3 1.44 . . . . 0.0 114.504 170.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -52.25 -61.83 2.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.761 1.624 . . . . 0.0 113.487 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.71 -49.19 14.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 126.363 1.865 . . . . 0.0 114.626 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.26 17.9 pt -64.4 -39.31 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 123.289 0.635 . . . . 0.0 112.612 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -61.58 -52.07 65.95 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.943 -1.098 . . . . 0.0 111.458 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.0 -31.12 49.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 124.721 1.208 . . . . 0.0 112.177 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.94 -25.28 48.18 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 119.867 -1.77 . . . . 0.0 114.139 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -70.37 -45.68 65.58 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 124.555 2.122 . . . . 0.0 109.281 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.5 mt -30.18 -64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 129.545 3.138 . . . . 0.0 115.141 152.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -49.78 -55.5 13.82 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.597 -1.315 . . . . 0.0 113.981 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 mm -48.62 -49.46 14.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 C-N-CA 129.505 3.122 . . . . 0.0 113.739 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.515 ' HZ3' ' CD ' ' B' ' 555' ' ' GLU . 19.9 pttt -96.94 -24.42 15.84 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.883 -1.761 . . . . 0.0 115.686 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -76.44 -65.73 0.89 Allowed 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.781 -1.2 . . . . 0.0 111.734 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -102.87 -17.53 15.49 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 120.752 -1.217 . . . . 0.0 110.973 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.42 8.8 mtm180 72.81 -140.05 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 166.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.5 -9.59 59.67 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 120.208 -1.558 . . . . 0.0 112.229 -162.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -65.39 0.58 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.371 2.268 . . . . 0.0 113.035 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 pt -89.57 -28.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-O 121.785 0.803 . . . . 0.0 112.513 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -53.12 -46.13 54.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.377 0 C-N-CA 127.507 2.323 . . . . 0.0 113.275 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -42.77 -66.0 0.41 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 127.128 2.171 . . . . 0.0 113.924 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 108.39 4.47 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -163.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -40.68 -49.9 3.05 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.577 1.951 . . . . 0.0 115.924 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.61 77.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.02 -48.12 80.99 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.306 1.842 . . . . 0.0 111.569 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.61 -53.0 52.72 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.495 -1.378 . . . . 0.0 113.57 175.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -75.06 -32.66 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 120.798 -1.189 . . . . 0.0 109.021 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.2 65.63 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.12 -38.55 78.92 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.656 1.182 . . . . 0.0 110.63 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.9 -43.16 75.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.024 -1.047 . . . . 0.0 111.699 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -69.29 -34.44 74.72 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 119.61 -1.931 . . . . 0.0 114.524 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -36.74 -49.93 0.81 Allowed 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.826 2.05 . . . . 0.0 115.148 169.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.11 -2.14 10.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.344 1.457 . . . . 0.0 112.088 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.88 41.2 62.73 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 120.509 -1.37 . . . . 0.0 116.417 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -79.9 102.07 5.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.511 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.7 m -113.25 159.76 19.0 Favored 'General case' 0 C--N 1.365 1.256 0 O-C-N 119.7 -1.875 . . . . 0.0 107.543 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -146.83 134.15 20.66 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 49.76 25.37 1.5 Allowed 'General case' 0 C--N 1.357 0.907 0 C-N-CA 127.583 2.353 . . . . 0.0 114.56 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.55 -5.68 82.41 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 126.511 2.005 . . . . 0.0 114.605 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -106.5 136.5 46.16 Favored 'General case' 0 N--CA 1.441 -0.921 0 O-C-N 120.894 -1.357 . . . . 0.0 111.084 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -84.23 137.1 33.66 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.595 -1.315 . . . . 0.0 107.85 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.26 0.4 OUTLIER -79.4 92.71 5.24 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.463 -2.023 . . . . 0.0 115.554 -162.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -70.43 171.24 10.4 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 111.734 162.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -58.4 -28.31 65.07 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -170.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.71 -66.89 0.32 Allowed 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 112.661 161.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 m -71.95 -30.79 65.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 126.481 1.912 . . . . 0.0 113.314 -170.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.33 -49.94 74.97 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 126.094 1.758 . . . . 0.0 112.047 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -80.33 -35.16 35.98 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.143 -0.973 . . . . 0.0 110.794 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -63.21 -29.17 70.56 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 tt -74.64 -23.94 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 O-C-N 120.021 -1.674 . . . . 0.0 113.927 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.69 -41.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 127.757 2.423 . . . . 0.0 112.113 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -72.65 -53.12 12.65 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 127.152 2.181 . . . . 0.0 113.334 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -88.11 81.07 7.49 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.527 -1.983 . . . . 0.0 106.427 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.13 143.64 36.3 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.8 m -57.68 124.8 20.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 126.275 1.83 . . . . 0.0 111.651 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -46.82 -46.46 20.79 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.993 1.717 . . . . 0.0 114.976 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.69 -41.98 99.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.13 -30.73 34.47 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 120.968 -1.083 . . . . 0.0 110.841 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -59.03 -47.31 85.69 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.939 0.876 . . . . 0.0 112.139 166.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -69.2 -37.57 78.17 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 121.268 -0.895 . . . . 0.0 111.754 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.1 m -47.83 -42.88 27.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.876 1.27 . . . . 0.0 113.835 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.26 -46.38 64.53 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.744 -1.222 . . . . 0.0 111.782 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.8 mt -49.75 -51.24 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.74 1.616 . . . . 0.0 111.706 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -55.18 -61.91 2.02 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 128.168 2.587 . . . . 0.0 114.932 175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.2 -47.2 15.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.254 -0.904 . . . . 0.0 113.179 -171.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.86 71.29 2.52 Favored 'General case' 0 CA--C 1.513 -0.454 0 O-C-N 120.299 -1.5 . . . . 0.0 108.959 -176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -45.18 -63.5 0.92 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 125.875 1.67 . . . . 0.0 114.575 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.83 -37.3 17.89 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.595 1.158 . . . . 0.0 110.697 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.88 91.56 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -73.7 -49.99 23.05 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.412 -1.64 . . . . 0.0 110.42 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -55.17 -39.2 69.26 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.535 1.134 . . . . 0.0 111.956 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.84 -61.04 4.56 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 126.552 2.025 . . . . 0.0 114.424 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.16 -46.98 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 119.505 -2.174 . . . . 0.0 112.789 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -38.34 -63.89 0.46 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 127.72 2.408 . . . . 0.0 116.273 168.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -61.14 -35.8 78.05 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 120.343 -1.473 . . . . 0.0 113.387 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -77.04 -38.29 53.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 121.194 -0.941 . . . . 0.0 111.384 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.35 -40.66 77.36 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.114 -1.616 . . . . 0.0 112.802 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.65 -30.59 64.42 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 112.128 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.4 ttp -72.82 -51.72 17.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.858 -1.151 . . . . 0.0 113.519 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -83.71 -57.07 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.368 -1.458 . . . . 0.0 113.79 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.0 p -84.21 101.64 12.02 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 120.592 -1.318 . . . . 0.0 113.2 -159.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -91.76 -166.52 1.58 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 109.687 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 pttt . . . . . 0 C--N 1.349 0.559 0 O-C-N 119.507 -1.995 . . . . 0.0 111.26 166.022 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 121.266 0.555 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.53 -42.13 74.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 125.141 1.376 . . . . 0.0 113.078 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.17 -58.64 7.33 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.807 -1.183 . . . . 0.0 114.101 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.56 -25.51 41.59 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 111.706 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.35 -2.65 8.92 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 121.193 -0.942 . . . . 0.0 115.304 160.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.293 2.1 pp -94.44 130.6 40.74 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.745 2.688 . . . . 0.0 117.323 -172.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -79.49 144.93 33.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 112.225 -2.261 . . . . 0.0 109.503 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.46 -36.56 0.58 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.761 2.024 . . . . 0.0 116.049 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -64.98 -39.97 94.26 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 122.896 1.331 . . . . 0.0 112.96 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . 0.515 ' CD ' ' HZ3' ' A' ' 20' ' ' LYS . 43.4 mt-10 -73.65 -43.19 60.13 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.644 2.378 . . . . 0.0 110.503 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.28 74.45 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.48 -0.762 . . . . 0.0 111.423 170.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -71.66 -48.91 44.5 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.433 -1.417 . . . . 0.0 110.469 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 21.0 m -62.04 -28.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.326 0 CA-C-N 121.583 1.992 . . . . 0.0 114.548 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.78 -55.18 32.79 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.107 1.363 . . . . 0.0 110.709 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.84 5.59 13.29 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.55 -1.344 . . . . 0.0 113.991 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 34.1 mtt -94.12 -62.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.336 -1.478 . . . . 0.0 110.066 166.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.994 1.318 . . . . 0.0 114.188 -165.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -87.1 -20.7 26.71 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.111 0.964 . . . . 0.0 109.933 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 90.14 3.24 73.15 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 120.829 -1.169 . . . . 0.0 114.751 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -94.02 123.42 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 118.365 1.082 . . . . 0.0 109.348 -172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -89.36 100.76 13.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.855 -1.153 . . . . 0.0 112.729 -169.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -92.2 109.25 20.62 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 164.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -174.89 -34.85 0.01 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -166.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 2.1 p -70.9 175.29 5.2 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.541 1.936 . . . . 0.0 113.334 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.68 132.2 51.5 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 111.576 167.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -122.42 115.84 22.96 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.156 -0.965 . . . . 0.0 109.801 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 20.4 m -111.27 146.21 37.42 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 11.9 mt -1.71 -62.52 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 162.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.47 -33.23 54.68 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.926 -1.109 . . . . 0.0 112.338 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.31 -43.71 66.57 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.274 1.43 . . . . 0.0 109.796 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.63 -47.36 49.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.414 1.486 . . . . 0.0 110.836 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -51.14 -55.16 20.17 Favored Glycine 0 C--N 1.353 1.502 0 C-N-CA 124.718 1.151 . . . . 0.0 114.803 171.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -71.58 -32.37 67.99 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 119.101 1.45 . . . . 0.0 108.47 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.91 -30.55 67.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 120.365 -1.459 . . . . 0.0 112.313 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -72.39 -56.72 4.99 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.394 -1.441 . . . . 0.0 112.652 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -24.73 -65.39 0.05 OUTLIER 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 152.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.97 -55.55 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.853 1.661 . . . . 0.0 111.579 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 38.0 m -48.34 -40.36 25.08 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 167.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.37 -50.96 41.38 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.994 -1.691 . . . . 0.0 110.439 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.947 0.899 . . . . 0.0 113.239 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -56.01 -37.42 69.13 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.645 -1.284 . . . . 0.0 112.648 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.33 -38.54 82.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 120.666 -1.272 . . . . 0.0 110.307 174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.51 -19.08 58.34 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 118.492 -2.63 . . . . 0.0 109.814 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -72.39 -40.83 66.94 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.283 -1.511 . . . . 0.0 112.04 165.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.18 -46.11 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 120.236 -1.54 . . . . 0.0 114.569 165.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -45.22 -60.45 2.11 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 128.425 2.69 . . . . 0.0 112.136 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.94 -51.72 4.32 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.33 2.252 . . . . 0.0 114.075 170.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -73.82 -28.82 61.81 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 123.549 0.74 . . . . 0.0 111.394 -174.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.94 -37.29 40.07 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.841 1.256 . . . . 0.0 111.249 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.1 1.48 11.02 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -91.42 -29.53 17.01 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.329 1.851 . . . . 0.0 110.727 163.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -74.2 -29.28 61.67 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 119.32 -2.113 . . . . 0.0 112.587 170.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.08 76.05 10.1 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-O 123.848 1.785 . . . . 0.0 111.276 170.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -74.93 -29.05 60.84 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.604 2.762 . . . . 0.0 114.064 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -74.86 147.47 84.05 Favored Pre-proline 0 C--N 1.348 0.537 0 O-C-N 120.907 -1.121 . . . . 0.0 112.164 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -70.63 84.59 0.79 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.031 1.82 . . . . 0.0 115.509 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 85.5 p -118.94 46.32 1.89 Allowed 'General case' 0 CA--C 1.518 -0.273 0 O-C-N 121.212 -0.93 . . . . 0.0 108.983 163.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -100.24 117.21 33.99 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.165 -0.959 . . . . 0.0 109.703 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 21.8 p -80.36 -58.13 3.28 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.19 -0.944 . . . . 0.0 111.306 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.3 153.08 30.0 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 121.136 -0.978 . . . . 0.0 109.055 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . 0.485 HG22 ' H ' ' B' ' 607' ' ' LEU . 7.7 p -149.62 173.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.614 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . 0.485 ' H ' HG22 ' B' ' 606' ' ' VAL . 2.9 mm? -96.89 102.3 14.05 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.644 -1.91 . . . . 0.0 110.675 -171.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -78.75 -125.52 0.01 OUTLIER 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.382 1.073 . . . . 0.0 113.102 167.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 18.2 p -114.65 -62.52 1.59 Allowed 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.48 1.512 . . . . 0.0 110.877 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -64.3 -19.83 65.68 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 118.952 2.945 . . . . 0.0 118.952 -168.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 31.26 4.59 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 123.732 2.969 . . . . 0.0 109.808 -171.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.74 159.81 8.26 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 . . . . . 0 CA--C 1.551 0.992 0 O-C-N 120.216 -1.552 . . . . 0.0 110.271 -177.181 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.6 m120 . . . . . 0 N--CA 1.442 -0.836 0 CA-C-O 122.752 1.263 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -62.48 128.61 36.84 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.562 2.345 . . . . 0.0 114.019 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -74.81 -63.0 1.35 Allowed 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.519 -1.363 . . . . 0.0 110.334 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tp -71.56 -27.06 27.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 C-N-CA 124.395 1.078 . . . . 0.0 112.185 -166.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.98 -44.83 88.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.523 1.529 . . . . 0.0 111.572 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 m -63.59 -51.07 66.9 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 120.737 -1.227 . . . . 0.0 110.841 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.394 1.0 OUTLIER -56.88 -39.95 68.37 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 O-C-N 120.884 -1.135 . . . . 0.0 113.533 172.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -57.03 -38.57 73.35 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.053 1.741 . . . . 0.0 114.258 172.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.07 -54.83 38.05 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.563 -1.336 . . . . 0.0 110.325 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.0 -35.28 46.98 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 126.847 2.059 . . . . 0.0 114.617 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.2 mt -61.87 -52.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.516 . . . . 0.0 109.967 171.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 m -58.15 -53.59 56.57 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.264 1.426 . . . . 0.0 113.001 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -51.43 -52.0 22.12 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 C-N-CA 128.277 2.631 . . . . 0.0 113.713 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 -24.17 61.09 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 120.423 -1.423 . . . . 0.0 113.362 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -72.63 -48.03 42.83 Favored 'General case' 0 C--N 1.36 1.065 0 O-C-N 120.563 -1.336 . . . . 0.0 107.405 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -34.02 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 127.998 2.519 . . . . 0.0 116.006 155.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -52.51 -43.88 65.37 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.795 -1.815 . . . . 0.0 112.909 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.34 -54.51 27.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 C-N-CA 128.74 2.816 . . . . 0.0 112.602 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -77.58 -33.83 53.77 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 116.976 -3.578 . . . . 0.0 111.749 -169.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -80.61 -42.38 22.3 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 124.023 0.929 . . . . 0.0 112.185 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.8 -8.31 9.45 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.409 16.8 mtt180 67.05 -124.03 0.23 Allowed 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -99.62 5.98 45.79 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.018 -1.676 . . . . 0.0 111.277 -165.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -51.2 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 131.187 3.795 . . . . 0.0 114.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.7 mt -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 122.197 0.998 . . . . 0.0 109.92 -167.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.9 t -41.47 -43.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.319 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -44.76 -59.83 2.32 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.522 1.529 . . . . 0.0 112.954 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -70.94 119.02 14.46 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.869 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.12 -35.18 76.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.47 -1.394 . . . . 0.0 114.346 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.94 64.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.755 -1.216 . . . . 0.0 112.818 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.5 -34.51 71.0 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.109 1.364 . . . . 0.0 114.145 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.9 -70.18 0.19 Allowed 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.215 -1.553 . . . . 0.0 113.754 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.4 mm -22.52 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 128.453 2.701 . . . . 0.0 115.269 149.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.49 63.79 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 119.864 -1.773 . . . . 0.0 115.682 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -44.61 76.21 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.99 1.316 . . . . 0.0 111.286 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.69 -47.46 86.16 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 122.565 1.174 . . . . 0.0 110.468 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.94 -51.21 65.45 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 120.612 -1.305 . . . . 0.0 113.555 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.7 -57.28 3.28 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 167.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 pt -83.48 -11.38 11.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 119.666 -1.896 . . . . 0.0 111.67 -171.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.05 55.15 1.41 Allowed Glycine 0 CA--C 1.49 -1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 113.002 163.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.94 109.68 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 121.723 -0.869 . . . . 0.0 109.034 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -107.22 145.12 33.04 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 120.292 -1.505 . . . . 0.0 112.142 -167.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -151.03 132.29 14.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 164.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 56.55 19.98 4.57 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.2 -2.59 71.67 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.34 -1.475 . . . . 0.0 114.081 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -103.48 154.76 19.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.306 -1.703 . . . . 0.0 108.588 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -90.74 133.46 35.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 163.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.387 1.0 OUTLIER -72.72 102.31 3.31 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 124.738 2.209 . . . . 0.0 116.563 -166.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -69.04 177.86 2.49 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.597 1.959 . . . . 0.0 113.412 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -58.32 -36.98 74.19 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.64 -58.42 6.35 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.677 1.591 . . . . 0.0 113.331 166.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.0 t -65.19 -32.49 74.19 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.528 1.531 . . . . 0.0 113.481 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -63.44 -57.46 10.2 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 125.757 1.623 . . . . 0.0 111.755 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -76.07 -11.16 59.89 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 119.591 -1.943 . . . . 0.0 112.461 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -62.5 -48.04 81.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.745 -1.222 . . . . 0.0 113.736 165.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.6 pt -67.37 -24.49 31.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 119.773 -1.829 . . . . 0.0 113.214 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.77 -36.14 63.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.677 1.191 . . . . 0.0 111.458 169.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 -48.32 70.72 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 119.732 -1.855 . . . . 0.0 113.181 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.93 -18.29 55.99 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 127.716 2.407 . . . . 0.0 117.293 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.29 150.06 20.65 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.206 -1.559 . . . . 0.0 111.02 174.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.1 p -86.72 173.87 9.2 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-O 124.414 2.054 . . . . 0.0 114.176 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -55.23 -35.62 65.14 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.257 -2.152 . . . . 0.0 115.785 161.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -70.33 -52.35 23.36 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 120.411 -1.431 . . . . 0.0 113.51 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.308 1.0 OUTLIER -38.54 -58.1 1.08 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 124.446 2.069 . . . . 0.0 115.25 165.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -58.99 -42.07 89.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.583 2.353 . . . . 0.0 114.157 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -72.59 -40.58 66.46 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 124.428 1.091 . . . . 0.0 109.917 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.4 m -52.12 -45.15 64.83 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.939 2.096 . . . . 0.0 112.35 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -58.96 5.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.08 2.152 . . . . 0.0 112.827 171.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -48.52 -46.63 14.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 C-N-CA 124.75 1.22 . . . . 0.0 112.662 172.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -36.36 82.98 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.45 -1.406 . . . . 0.0 114.26 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -80.03 -56.23 4.39 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.034 1.334 . . . . 0.0 111.669 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -104.7 78.7 1.47 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.045 2.138 . . . . 0.0 109.087 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -60.27 -64.94 0.78 Allowed 'General case' 0 C--N 1.351 0.63 0 C-N-CA 125.53 1.532 . . . . 0.0 113.026 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.87 -41.64 59.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.089 0.956 . . . . 0.0 110.188 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.97 -58.86 12.06 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 126.596 2.046 . . . . 0.0 116.525 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -82.49 -44.84 15.47 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.751 -1.44 . . . . 0.0 111.471 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.82 -32.54 73.75 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.237 0.926 . . . . 0.0 111.757 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.27 -50.38 40.64 Favored Glycine 0 C--N 1.35 1.346 0 C-N-CA 124.712 1.148 . . . . 0.0 115.275 164.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.56 -49.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.608 2.204 . . . . 0.0 111.315 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -28.48 -54.72 0.11 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.484 2.314 . . . . 0.0 116.815 156.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -57.85 -28.87 64.51 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.41 -38.51 13.25 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.69 -1.256 . . . . 0.0 110.791 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -35.58 77.01 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 127.265 2.226 . . . . 0.0 114.519 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.14 -12.57 46.65 Favored 'General case' 0 C--N 1.346 0.413 0 O-C-N 120.179 -1.575 . . . . 0.0 112.705 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.5 ttm -92.02 -51.89 4.98 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.518 1.527 . . . . 0.0 112.421 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.62 -3.51 58.53 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.655 -1.278 . . . . 0.0 113.608 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.5 t -77.69 122.43 25.33 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 123.145 1.45 . . . . 0.0 113.316 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -92.17 148.79 21.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.691 -1.255 . . . . 0.0 110.542 173.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt . . . . . 0 C--N 1.358 0.948 0 O-C-N 119.547 -1.97 . . . . 0.0 110.635 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.224 -0.262 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.98 -47.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.319 1.448 . . . . 0.0 112.138 168.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.9 -54.15 43.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 113.157 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -75.44 -23.71 56.97 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 120.011 -1.681 . . . . 0.0 109.74 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 79.76 66.98 1.62 Allowed Glycine 0 CA--C 1.48 -2.137 0 C-N-CA 126.336 1.922 . . . . 0.0 111.213 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.4 pp -136.49 140.18 42.85 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 101.997 -3.334 . . . . 0.0 101.997 173.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 76.5 p -81.34 168.36 18.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.519 1.152 . . . . 0.0 111.434 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.84 -19.93 61.9 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.254 -2.154 . . . . 0.0 110.891 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -73.02 -28.27 62.25 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 123.103 1.43 . . . . 0.0 111.1 176.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.04 -44.19 73.15 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.071 1.348 . . . . 0.0 110.306 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.54 77.84 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.57 -1.331 . . . . 0.0 114.123 168.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -56.05 -58.33 8.38 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 122.214 1.007 . . . . 0.0 112.512 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.1 p -70.39 -23.75 24.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.144 -1.597 . . . . 0.0 115.257 -170.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.42 -42.39 87.81 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.813 -1.179 . . . . 0.0 111.474 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -55.77 -61.88 2.06 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 120.885 -1.134 . . . . 0.0 113.179 156.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -56.58 -66.62 0.41 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -89.19 -35.15 16.38 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.91 -1.118 . . . . 0.0 113.467 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -88.95 -21.32 23.61 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.833 -1.167 . . . . 0.0 111.158 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.21 46.9 9.65 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.386 -2.071 . . . . 0.0 114.686 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 2.7 mt -116.3 122.81 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -96.75 111.69 23.75 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -153.61 38.2 0.47 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 -166.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.18 73.78 1.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -169.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.6 t -140.19 -155.02 0.55 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 120.236 -1.54 . . . . 0.0 111.405 -150.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.2 129.18 37.33 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.412 1.485 . . . . 0.0 110.77 165.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.12 123.3 40.52 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 120.623 -1.298 . . . . 0.0 108.733 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 58.3 m -117.97 152.67 35.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -27.4 -58.14 0.1 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 128.246 2.618 . . . . 0.0 117.882 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -69.94 -38.62 76.21 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 120.299 -1.5 . . . . 0.0 111.274 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.54 -44.17 83.14 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.487 1.515 . . . . 0.0 112.056 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 16.9 t -51.07 -53.93 12.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 126.138 1.775 . . . . 0.0 111.332 171.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -63.75 -47.86 82.43 Favored Glycine 0 C--N 1.348 1.219 0 C-N-CA 124.715 1.15 . . . . 0.0 112.744 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -66.44 -39.24 88.79 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 123.306 1.527 . . . . 0.0 108.853 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.87 -27.26 69.22 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 127.163 2.185 . . . . 0.0 112.092 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.39 -61.99 1.59 Allowed 'General case' 0 C--N 1.349 0.576 0 C-N-CA 125.395 1.478 . . . . 0.0 111.324 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.02 -48.08 52.85 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 130.212 3.405 . . . . 0.0 117.35 163.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 70.3 t -48.88 -66.25 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.159 0.983 . . . . 0.0 112.196 162.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -9.91 57.78 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 -176.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -66.68 -48.59 68.85 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.674 -1.891 . . . . 0.0 107.737 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.3 -26.13 62.65 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.306 -1.315 . . . . 0.0 113.287 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -67.08 -33.04 74.64 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 118.929 -2.357 . . . . 0.0 112.122 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.95 -45.93 86.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 119.914 -1.741 . . . . 0.0 111.934 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -58.19 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 154.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -48.82 -51.38 29.78 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.99 -47.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 125.427 1.491 . . . . 0.0 112.786 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.83 -51.82 67.69 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.514 1.926 . . . . 0.0 111.484 -172.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -50.15 -45.2 52.97 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.911 1.685 . . . . 0.0 113.465 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -70.96 -47.87 56.52 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.445 1.098 . . . . 0.0 112.591 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.95 -39.88 66.31 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.732 1.613 . . . . 0.0 112.83 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 57.3 mt -75.45 -11.42 60.03 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.885 -1.134 . . . . 0.0 113.338 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -74.07 -26.36 60.34 Favored 'General case' 0 C--N 1.377 1.771 0 CA-C-N 122.754 2.525 . . . . 0.0 106.873 -169.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -24.57 56.31 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 131.05 3.74 . . . . 0.0 112.041 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 18.4 tp -74.45 137.89 42.9 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 163.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -131.28 -36.15 1.31 Allowed 'General case' 0 CA--C 1.503 -0.856 0 O-C-N 120.703 -1.248 . . . . 0.0 111.152 -162.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -78.24 152.9 79.35 Favored Pre-proline 0 C--N 1.349 0.569 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 163.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -71.97 162.29 42.32 Favored 'Trans proline' 0 C--N 1.324 -0.73 0 CA-C-N 122.864 2.059 . . . . 0.0 112.287 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.2 m -135.0 -72.1 0.48 Allowed 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 167.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -82.81 102.78 11.82 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 39.9 m -79.26 -48.44 14.14 Favored 'General case' 0 CA--C 1.51 -0.585 0 O-C-N 120.857 -1.152 . . . . 0.0 112.077 -171.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -79.5 166.74 21.64 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.916 1.286 . . . . 0.0 112.233 -171.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 60.8 t -82.14 131.17 34.44 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 O-C-N 120.626 -1.296 . . . . 0.0 110.368 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.2 49.53 1.42 Allowed 'General case' 0 C--N 1.349 0.558 0 O-C-N 119.148 -2.22 . . . . 0.0 111.585 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -97.05 -28.19 14.26 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 124.289 1.036 . . . . 0.0 111.618 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 14.3 p -100.31 -64.3 1.05 Allowed 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -155.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.67 -72.28 0.05 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.87 1.668 . . . . 0.0 114.612 -176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . 0.269 0.0 OUTLIER -35.84 -37.41 0.1 Allowed 'General case' 0 CA--C 1.541 0.622 1 N-CA-C 122.195 4.146 . . . . 0.0 122.195 168.745 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -115.62 93.24 4.19 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.207 -1.558 . . . . 0.0 109.4 -159.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 N--CA 1.442 -0.825 0 O-C-N 121.046 -1.034 . . . . 0.0 108.973 -179.843 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.29 28.0 m120 . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 117.472 -1.252 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 161.23 15.99 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 124.36 3.254 . . . . 0.0 114.333 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -57.9 -44.46 86.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.591 2.356 . . . . 0.0 115.854 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.02 -30.34 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 125.485 1.514 . . . . 0.0 114.511 -169.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.25 -57.18 2.64 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.063 2.145 . . . . 0.0 114.212 168.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.6 m -79.58 -33.62 41.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.32 1.448 . . . . 0.0 110.002 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -54.13 -57.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 C-N-CA 124.581 1.152 . . . . 0.0 112.343 168.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -44.34 -48.97 9.7 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.055 1.742 . . . . 0.0 113.083 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -56.05 26.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 125.249 1.419 . . . . 0.0 113.796 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.23 -47.94 32.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.506 1.922 . . . . 0.0 113.752 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -59.25 -44.49 92.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 124.875 1.27 . . . . 0.0 111.794 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 m -59.63 -52.32 66.03 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.532 -1.355 . . . . 0.0 112.346 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.3 -30.93 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.608 1.163 . . . . 0.0 110.456 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.12 96.35 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 117.612 -3.18 . . . . 0.0 115.753 162.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -77.09 -42.22 39.03 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 121.655 2.025 . . . . 0.0 109.401 -164.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.0 mt -33.41 -62.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.927 0 C-N-CA 129.433 3.093 . . . . 0.0 114.248 158.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -56.16 -43.39 78.3 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-O 122.466 1.127 . . . . 0.0 113.746 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.32 -55.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 124.589 1.156 . . . . 0.0 112.413 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -71.72 -49.89 35.17 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 118.548 -2.595 . . . . 0.0 110.735 -171.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -72.08 -43.11 65.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.602 1.161 . . . . 0.0 113.139 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 p -116.02 -13.54 11.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.391 0.1 OUTLIER 61.18 -116.89 0.69 Allowed 'General case' 0 C--O 1.222 -0.355 0 O-C-N 119.819 -1.801 . . . . 0.0 112.495 -172.679 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -106.91 0.09 23.59 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.007 -1.683 . . . . 0.0 113.132 -163.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.07 -55.02 40.1 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 125.344 1.458 . . . . 0.0 113.93 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -89.14 -46.31 15.36 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.767 -1.208 . . . . 0.0 110.434 -176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 27' ' ' VAL . 5.6 t -35.96 -47.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 C-N-CA 129.487 3.115 . . . . 0.0 117.142 174.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.19 -33.86 74.14 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 123.776 1.751 . . . . 0.0 113.715 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -85.05 82.94 8.22 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -171.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -58.77 -29.74 67.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -159.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -34.61 78.42 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.595 -1.94 . . . . 0.0 114.458 170.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -33.16 74.24 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -61.14 -62.62 1.71 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.141 1.376 . . . . 0.0 113.901 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -22.61 -62.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 129.363 3.065 . . . . 0.0 112.269 144.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -40.33 75.58 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 118.322 -2.736 . . . . 0.0 116.289 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.09 -42.64 84.3 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.231 1.413 . . . . 0.0 113.112 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.35 -42.83 99.33 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 119.875 -1.766 . . . . 0.0 112.498 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -76.65 -30.83 56.99 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.738 -1.226 . . . . 0.0 111.752 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -41.76 -60.19 1.44 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 128.006 2.522 . . . . 0.0 115.464 165.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.2 pt -89.19 6.77 3.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.158 0.98 . . . . 0.0 111.298 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.95 49.94 6.16 Favored Glycine 0 C--N 1.346 1.089 0 C-N-CA 125.77 1.653 . . . . 0.0 114.798 158.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -96.35 135.07 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -144.49 179.02 7.54 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -150.91 128.2 11.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.77 17.82 4.43 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.53 -8.4 74.57 Favored Glycine 0 C--N 1.356 1.663 0 O-C-N 120.216 -1.552 . . . . 0.0 113.014 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -102.55 143.04 32.76 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 120.855 -1.379 . . . . 0.0 108.55 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -74.68 145.15 43.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 120.468 -1.395 . . . . 0.0 110.954 169.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.73 74.17 9.19 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.086 -1.634 . . . . 0.0 112.625 -176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -75.02 -171.11 1.26 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.454 -1.404 . . . . 0.0 109.42 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -49.34 -43.05 43.44 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.992 -1.692 . . . . 0.0 114.669 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -58.97 -67.99 0.31 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-O 122.778 1.275 . . . . 0.0 113.896 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 p -76.65 -23.18 53.3 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 126.663 1.985 . . . . 0.0 112.962 -165.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.03 -48.53 81.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.323 1.049 . . . . 0.0 110.949 164.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -75.09 -28.78 60.42 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 120.34 -1.475 . . . . 0.0 111.482 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.82 -25.75 66.6 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.149 -1.594 . . . . 0.0 114.755 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 tt -81.02 -35.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 O-C-N 119.985 -1.697 . . . . 0.0 113.637 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -86.22 -34.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 127.325 2.25 . . . . 0.0 115.081 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -70.97 -58.49 3.53 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.263 1.825 . . . . 0.0 112.106 164.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.43 66.71 6.47 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.322 -2.111 . . . . 0.0 108.28 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.1 tp -122.35 147.77 45.87 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.59 3.556 . . . . 0.0 103.956 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -71.41 -174.78 1.12 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.647 -1.283 . . . . 0.0 113.039 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -83.44 -54.79 4.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.055 -1.653 . . . . 0.0 109.807 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -55.54 -46.88 77.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.978 1.711 . . . . 0.0 115.099 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.83 -28.65 24.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.986 -171.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.07 98.94 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.474 1.488 . . . . 0.0 111.074 165.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -68.34 -44.7 74.73 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 124.91 1.284 . . . . 0.0 110.937 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.4 m -50.01 -43.64 50.71 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.311 2.245 . . . . 0.0 113.751 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.66 -47.37 69.72 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.463 1.505 . . . . 0.0 111.009 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -53.52 -53.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 C-N-CA 123.842 0.857 . . . . 0.0 112.471 169.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -51.87 -33.05 34.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.123 1.769 . . . . 0.0 115.036 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -81.57 -53.67 6.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.052 1.341 . . . . 0.0 112.435 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.6 68.87 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.157 1.783 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -60.27 -54.79 41.57 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 124.95 1.3 . . . . 0.0 112.548 -170.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.2 -40.18 6.19 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 119.416 -2.053 . . . . 0.0 114.461 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.02 -54.08 21.03 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 119.628 1.714 . . . . 0.0 110.47 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -57.6 -40.07 78.24 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.185 1.794 . . . . 0.0 111.752 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.96 -56.34 12.97 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 125.742 1.639 . . . . 0.0 115.476 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.04 -39.67 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.227 2.014 . . . . 0.0 112.46 -168.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -43.83 71.5 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.403 -1.436 . . . . 0.0 110.145 -170.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -62.0 -46.74 87.89 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.446 0.1 OUTLIER -74.49 -17.97 60.68 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.314 -1.491 . . . . 0.0 113.982 -179.328 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.6 tp -71.3 -54.16 11.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.458 -0.776 . . . . 0.0 112.22 162.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -64.54 -32.93 74.78 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -16.37 62.68 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.252 -1.53 . . . . 0.0 113.495 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -72.51 -35.3 68.08 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.848 0.859 . . . . 0.0 113.074 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 p -93.53 135.54 34.69 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.057 1.408 . . . . 0.0 113.523 -166.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -115.67 153.97 30.35 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.703 -1.248 . . . . 0.0 111.972 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--N 1.36 1.037 0 O-C-N 119.839 -1.788 . . . . 0.0 111.112 177.623 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.446 -0.654 0 CA-C-O 121.001 0.429 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.65 -45.34 98.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.948 -1.095 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.37 -56.84 16.95 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.18 -26.13 42.71 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 119.763 1.165 . . . . 0.0 112.945 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 112.58 -33.23 5.76 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.076 -1.64 . . . . 0.0 111.668 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.34 115.72 18.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.971 0.891 . . . . 0.0 111.52 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 170.54 8.51 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 126.078 1.751 . . . . 0.0 114.539 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.98 -44.9 1.13 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 170.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -70.52 -38.39 74.25 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.275 1.512 . . . . 0.0 111.168 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.87 -52.56 59.46 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 129.047 2.939 . . . . 0.0 111.511 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.4 74.43 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.415 0.686 . . . . 0.0 112.808 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -70.07 -42.97 72.1 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.744 -1.223 . . . . 0.0 111.377 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.28 -29.69 48.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 119.902 -1.749 . . . . 0.0 113.075 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.0 -40.42 76.55 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.931 1.292 . . . . 0.0 112.252 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.5 mtm-85 -79.34 -37.64 37.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.58 1.152 . . . . 0.0 112.484 167.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 91.1 mtp -71.56 -59.44 2.76 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 117.388 -3.32 . . . . 0.0 114.683 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -92.78 -55.22 3.45 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.667 -1.271 . . . . 0.0 112.279 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -70.12 -23.14 62.98 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 112.493 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 73.8 42.81 37.36 Favored Glycine 0 C--N 1.349 1.269 0 C-N-CA 125.506 1.527 . . . . 0.0 116.136 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 48.9 mt -112.83 123.4 68.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 119.502 1.651 . . . . 0.0 107.568 171.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -89.92 97.7 11.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.339 -1.476 . . . . 0.0 112.531 -165.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.5 mtm -111.32 53.26 0.72 Allowed 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.386 -1.446 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -116.2 -24.08 8.15 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.445 -1.41 . . . . 0.0 111.172 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 10.5 p -74.97 -170.57 1.13 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.013 2.125 . . . . 0.0 113.36 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.23 125.82 27.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 119.526 -1.984 . . . . 0.0 113.332 168.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -122.01 139.86 53.17 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.662 1.185 . . . . 0.0 108.137 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 55.3 p -97.11 173.37 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 165.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 59.5 mt -71.81 -20.27 61.87 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.428 -1.42 . . . . 0.0 111.198 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -70.45 -43.77 69.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.243 -0.911 . . . . 0.0 111.865 167.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -59.59 -44.96 93.19 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 120.542 -1.349 . . . . 0.0 112.589 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 26.3 t -58.6 -48.33 85.98 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.89 1.276 . . . . 0.0 112.2 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.67 -43.33 99.41 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 124.951 1.263 . . . . 0.0 113.237 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -70.25 -27.01 64.11 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.148 -1.207 . . . . 0.0 109.712 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -21.69 63.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -74.22 -52.92 10.94 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.237 1.38 . . . . 0.0 110.493 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -34.61 -66.84 0.16 Allowed 'General case' 0 C--N 1.345 0.375 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 149.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 82.8 t -51.52 -56.46 5.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 119.634 1.107 . . . . 0.0 112.268 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 8.6 m -40.2 -54.27 2.36 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 163.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -68.5 -42.01 79.23 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.514 -1.991 . . . . 0.0 112.341 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -59.57 -46.84 87.74 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.546 1.938 . . . . 0.0 111.611 172.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -59.54 -43.57 93.47 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.492 -1.38 . . . . 0.0 112.259 172.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.98 -37.47 77.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 C-N-CA 125.041 1.336 . . . . 0.0 112.14 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -20.51 61.12 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 121.692 2.042 . . . . 0.0 109.146 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -78.06 -32.96 51.08 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.15 -2.218 . . . . 0.0 112.642 168.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 69.1 mt -55.91 -46.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 119.546 -1.971 . . . . 0.0 113.529 163.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -54.76 -54.63 39.55 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.411 2.684 . . . . 0.0 111.541 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.11 -55.83 6.47 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.618 1.567 . . . . 0.0 114.495 168.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -66.26 -45.11 81.69 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.943 -1.098 . . . . 0.0 112.692 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.07 73.92 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 73.0 mt -75.48 0.83 15.8 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 171.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -99.08 -34.32 10.44 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.07 -1.644 . . . . 0.0 108.983 165.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -68.04 -38.82 82.95 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 119.671 -1.893 . . . . 0.0 114.275 170.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . 0.466 ' HG ' ' H ' ' B' ' 599' ' ' ARG . 12.8 tp -76.95 166.46 23.3 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.727 -1.233 . . . . 0.0 109.805 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . 0.466 ' H ' ' HG ' ' B' ' 598' ' ' LEU . 3.7 tpt180 -156.52 -39.63 0.08 Allowed 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.531 -1.356 . . . . 0.0 109.483 -160.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.92 150.55 97.73 Favored Pre-proline 0 C--N 1.351 0.645 0 C-N-CA 124.301 1.04 . . . . 0.0 111.493 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.2 166.03 30.54 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.78 1.653 . . . . 0.0 112.562 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 66.9 m -100.07 -59.93 1.62 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 122.423 1.106 . . . . 0.0 108.423 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 41.4 mtp85 -112.55 136.97 51.45 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 126.481 1.913 . . . . 0.0 108.251 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 66.1 m -80.77 -45.68 16.63 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 119.975 -1.703 . . . . 0.0 110.626 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.24 -17.81 64.4 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 117.497 2.406 . . . . 0.0 117.497 -168.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 91.6 t -74.44 118.98 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 O-C-N 120.963 -1.085 . . . . 0.0 110.716 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 21.2 mt -106.29 123.56 48.23 Favored 'General case' 0 C--N 1.365 1.252 0 O-C-N 120.206 -1.559 . . . . 0.0 107.961 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -103.26 -24.62 13.52 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.274 -1.516 . . . . 0.0 112.445 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 14.7 t -49.16 -70.22 0.09 Allowed 'General case' 0 C--N 1.35 0.628 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 -164.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -92.87 22.04 5.18 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.214 -1.554 . . . . 0.0 112.532 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 3.2 mp -115.89 67.21 0.71 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 128.685 2.794 . . . . 0.0 109.618 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -70.78 99.54 1.74 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.666 1.586 . . . . 0.0 113.967 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 CA--C 1.551 1.018 0 O-C-N 119.412 -2.055 . . . . 0.0 111.315 176.074 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -133.15 171.57 13.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.7 -34.56 71.44 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.627 1.171 . . . . 0.0 112.695 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 mm -65.89 -27.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 121.326 -0.859 . . . . 0.0 113.026 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.9 -41.53 95.52 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.199 -1.563 . . . . 0.0 111.672 171.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -63.78 -43.05 97.5 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.145 -1.597 . . . . 0.0 111.946 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.33 -52.19 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.957 0.903 . . . . 0.0 112.59 173.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -50.33 -45.37 54.84 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 126.988 2.115 . . . . 0.0 113.78 168.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -57.48 -55.94 28.26 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.604 1.562 . . . . 0.0 113.062 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -45.89 -49.51 4.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 127.484 2.314 . . . . 0.0 113.946 168.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.58 -48.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-O 122.45 1.119 . . . . 0.0 110.04 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -63.73 -50.69 68.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.742 0.817 . . . . 0.0 113.1 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.64 -26.43 16.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.171 -1.581 . . . . 0.0 112.312 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.17 -17.18 59.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.979 -1.075 . . . . 0.0 113.183 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 m -73.8 -48.16 33.49 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.826 -1.796 . . . . 0.0 107.514 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.9 mt -32.71 -49.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 130.954 3.701 . . . . 0.0 115.752 154.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 -53.16 59.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.376 -2.077 . . . . 0.0 113.353 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 mt -81.12 -56.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 125.981 1.712 . . . . 0.0 115.122 -170.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -68.5 -46.95 68.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.348 2.499 . . . . 0.0 111.362 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -90.69 -48.61 6.95 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 130.32 3.448 . . . . 0.0 112.181 -163.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -105.15 -12.95 15.88 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 121.975 2.171 . . . . 0.0 116.09 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 82.3 165.43 0.13 Allowed 'General case' 0 C--N 1.343 0.324 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 163.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -38.35 -23.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.823 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -42.15 96.57 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 121.027 1.74 . . . . 0.0 115.147 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.4 pt -82.75 -36.14 13.02 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 O-C-N 120.085 -1.635 . . . . 0.0 111.315 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -46.95 -49.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.359 1.017 0 C-N-CA 126.951 2.101 . . . . 0.0 113.499 167.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -42.53 -43.8 3.87 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 128.051 2.541 . . . . 0.0 114.673 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -95.49 103.14 15.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -60.19 -38.9 84.69 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.276 -1.515 . . . . 0.0 113.207 -169.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -59.82 4.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.18 -47.8 71.64 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.315 2.246 . . . . 0.0 113.413 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.79 -53.28 59.31 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.718 1.607 . . . . 0.0 112.51 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.47 -36.42 48.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.051 0 O-C-N 119.475 -2.016 . . . . 0.0 109.07 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -16.59 6.03 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -29.52 68.25 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.845 0.858 . . . . 0.0 111.322 173.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.75 -49.7 20.04 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.005 -1.684 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -49.93 -61.83 1.91 Allowed 'General case' 0 C--N 1.357 0.899 0 C-N-CA 127.553 2.341 . . . . 0.0 113.043 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -29.24 -52.18 0.11 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.496 2.718 . . . . 0.0 117.049 168.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.9 pt -95.86 -8.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 O-C-N 121.09 -1.006 . . . . 0.0 112.526 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.62 42.5 5.43 Favored Glycine 0 C--N 1.347 1.184 0 O-C-N 120.858 -1.151 . . . . 0.0 115.313 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.7 t -86.45 111.21 21.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 118.836 1.318 . . . . 0.0 107.583 168.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -118.54 167.3 11.74 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.763 -1.211 . . . . 0.0 111.132 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -135.67 132.72 37.34 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.2 31.52 0.56 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.08 1.88 72.08 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 126.274 1.892 . . . . 0.0 114.498 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -107.29 138.51 43.35 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 120.913 -1.345 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -74.51 132.26 41.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.675 -1.265 . . . . 0.0 108.868 166.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 92.03 9.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.716 -1.865 . . . . 0.0 114.015 -170.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -74.87 173.37 10.7 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.997 1.319 . . . . 0.0 110.937 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -30.18 -63.13 0.14 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -48.45 -61.94 1.75 Allowed 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.21 2.204 . . . . 0.0 114.546 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.7 t -63.76 -40.03 95.71 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 126.979 2.112 . . . . 0.0 113.308 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.24 -57.34 13.47 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.78 2.032 . . . . 0.0 113.521 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -70.78 -26.42 63.33 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.996 -1.69 . . . . 0.0 113.999 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -65.08 -42.77 93.78 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 119.671 -1.893 . . . . 0.0 113.537 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.271 11.4 tt -60.13 -53.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 O-C-N 120.81 -1.181 . . . . 0.0 112.183 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.03 -30.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 CA-C-N 120.807 1.64 . . . . 0.0 111.169 -167.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.6 t -86.12 -17.26 35.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.937 -1.727 . . . . 0.0 114.521 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -95.16 17.2 14.61 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 123.586 2.903 . . . . 0.0 112.894 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.36 155.56 38.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 120.014 -1.679 . . . . 0.0 113.054 167.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.56 156.51 20.72 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 126.094 1.758 . . . . 0.0 110.482 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -66.85 -42.56 85.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.92 -52.5 56.09 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 125.342 1.457 . . . . 0.0 114.077 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.326 8.5 m-20 -45.92 -50.35 14.67 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 129.345 3.058 . . . . 0.0 116.456 160.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -56.43 -41.57 76.61 Favored 'General case' 0 C--N 1.373 1.627 0 O-C-N 120.196 -1.565 . . . . 0.0 112.867 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -72.75 -22.07 60.91 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 121.059 -1.025 . . . . 0.0 111.636 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -55.73 -46.48 77.76 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.179 -1.576 . . . . 0.0 111.442 164.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.07 -46.36 62.07 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.54 -1.35 . . . . 0.0 113.324 173.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.0 mt -55.12 -45.63 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.168 0.987 . . . . 0.0 112.877 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.55 -62.62 1.51 Allowed 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.501 -1.374 . . . . 0.0 113.358 170.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.08 -48.6 57.06 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.96 73.36 1.52 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.858 1.263 . . . . 0.0 109.323 -175.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -48.07 71.36 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.329 -1.482 . . . . 0.0 111.54 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.9 -35.46 78.53 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.432 -0.792 . . . . 0.0 111.378 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -62.41 5.44 Favored Glycine 0 C--N 1.345 1.052 0 C-N-CA 124.074 0.845 . . . . 0.0 113.934 172.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -75.9 -49.57 17.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.305 -1.703 . . . . 0.0 114.215 -170.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -71.75 -33.13 68.42 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 121.073 -1.017 . . . . 0.0 110.588 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.38 -40.92 92.8 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-O 119.426 -0.652 . . . . 0.0 113.76 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.77 -61.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 119.91 1.855 . . . . 0.0 112.745 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.278 7.5 p90 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 -166.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -68.06 -35.42 78.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.663 -1.273 . . . . 0.0 112.787 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -70.85 -51.66 25.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.488 1.115 . . . . 0.0 110.588 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 mt -47.62 -55.01 10.27 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 125.634 1.574 . . . . 0.0 113.747 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.98 -3.03 56.74 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -34.74 11.52 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.727 -1.233 . . . . 0.0 111.935 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -35.93 11.5 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.472 -1.393 . . . . 0.0 114.026 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 m -101.22 120.07 39.69 Favored 'General case' 0 CA--C 1.503 -0.844 0 O-C-N 120.409 -1.432 . . . . 0.0 107.878 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -91.38 162.83 14.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.741 0.782 . . . . 0.0 110.772 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm . . . . . 0 C--N 1.35 0.618 0 O-C-N 120.552 -1.343 . . . . 0.0 111.528 -173.663 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 CA--C 1.543 0.682 0 CA-C-O 121.118 0.485 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 49.5 t -48.7 -46.43 15.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 C-N-CA 127.024 2.129 . . . . 0.0 114.21 168.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.2 -40.86 71.26 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -84.19 -31.57 25.04 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.253 -1.53 . . . . 0.0 111.599 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 126.39 -9.34 7.37 Favored Glycine 0 CA--C 1.492 -1.353 0 O-C-N 120.849 -1.157 . . . . 0.0 112.266 165.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pp -83.3 131.45 35.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.539 1.637 . . . . 0.0 111.202 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 73.1 p -77.52 173.03 12.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 119.715 -1.866 . . . . 0.0 115.573 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.95 68.78 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.165 -1.585 . . . . 0.0 114.105 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -73.74 -17.76 61.07 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 122.604 1.192 . . . . 0.0 112.781 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.65 -39.82 43.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.564 -1.335 . . . . 0.0 110.12 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.71 72.97 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.224 1.01 . . . . 0.0 111.694 172.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -58.42 6.29 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.255 1.503 . . . . 0.0 114.569 164.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.29 -35.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 O-C-N 119.803 -1.811 . . . . 0.0 113.948 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.53 -46.93 83.75 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.884 1.274 . . . . 0.0 111.512 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.4 -29.82 64.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.127 -1.608 . . . . 0.0 112.759 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 32.5 mtp -81.09 -61.96 1.8 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-N 122.907 2.594 . . . . 0.0 114.28 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -90.2 -34.41 15.82 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.774 -1.204 . . . . 0.0 113.28 -169.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.12 -33.68 20.82 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.888 -0.508 . . . . 0.0 109.852 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 85.2 29.37 28.15 Favored Glycine 0 C--N 1.346 1.136 0 C-N-CA 124.974 1.273 . . . . 0.0 114.902 -174.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.03 120.87 64.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.744 1.772 . . . . 0.0 109.657 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.46 109.6 21.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.723 0.809 . . . . 0.0 109.58 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 4.8 ptm -122.65 50.04 1.55 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.839 1.256 . . . . 0.0 110.19 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -119.41 -36.74 3.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.962 1.305 . . . . 0.0 111.99 -152.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 m -94.3 -121.0 0.1 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.29 1.036 . . . . 0.0 109.167 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.43 107.92 19.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 122.894 2.588 . . . . 0.0 110.738 -167.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -119.93 123.31 43.25 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -85.48 179.03 7.22 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 122.496 1.141 . . . . 0.0 111.753 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.08 -20.24 57.88 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.355 -1.466 . . . . 0.0 110.652 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -69.93 -41.06 75.09 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 122.195 0.998 . . . . 0.0 109.933 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -76.47 -40.88 49.08 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.519 1.528 . . . . 0.0 114.732 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.01 -34.96 50.27 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 123.321 1.534 . . . . 0.0 111.241 163.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.14 39.4 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.158 -1.589 . . . . 0.0 112.794 169.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.48 -32.93 74.1 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 122.284 1.04 . . . . 0.0 109.736 -167.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -69.64 -25.25 63.83 Favored 'General case' 0 C--N 1.361 1.067 0 O-C-N 120.455 -1.403 . . . . 0.0 112.549 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -22.78 64.73 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 118.983 -2.323 . . . . 0.0 113.828 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -81.11 -67.76 0.75 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.415 1.486 . . . . 0.0 113.295 158.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 55.5 t -47.49 -63.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 C-N-CA 127.124 2.169 . . . . 0.0 114.642 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 5.1 m -59.68 -25.63 64.9 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -44.3 67.79 Favored 'General case' 0 C--N 1.363 1.171 0 O-C-N 118.679 -2.513 . . . . 0.0 109.949 173.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.61 -47.55 76.36 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.12 169.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -54.32 -43.97 71.65 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 120.044 -1.66 . . . . 0.0 113.529 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.39 -41.73 88.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.264 -1.522 . . . . 0.0 112.257 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -19.56 60.28 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 122.024 2.193 . . . . 0.0 108.777 -177.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.21 -36.37 69.15 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.239 -2.163 . . . . 0.0 113.338 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 63.6 mt -56.9 -48.17 81.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 126.361 1.864 . . . . 0.0 112.568 163.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.97 -55.87 27.51 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.059 2.144 . . . . 0.0 110.929 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -42.02 -47.84 4.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.561 1.944 . . . . 0.0 115.315 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -65.05 -48.33 74.19 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.757 -1.214 . . . . 0.0 112.323 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.84 -36.86 63.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.08 -13.28 60.47 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.179 -1.576 . . . . 0.0 114.022 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -92.5 -32.36 14.9 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.103 2.561 . . . . 0.0 108.059 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -71.93 -21.3 61.63 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.326 1.876 . . . . 0.0 114.254 166.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 66.8 mt -92.32 86.47 5.72 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.265 -1.522 . . . . 0.0 112.851 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -81.85 -2.54 51.41 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.383 -2.073 . . . . 0.0 115.252 172.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -83.79 115.86 61.81 Favored Pre-proline 0 C--N 1.348 0.5 0 O-C-N 119.143 -2.223 . . . . 0.0 110.28 161.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.56 109.73 2.7 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.611 2.208 . . . . 0.0 111.224 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 31.0 m -120.08 55.37 1.0 Allowed 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -85.74 121.36 28.3 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.845 1.658 . . . . 0.0 114.055 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 72.9 m -101.91 -10.67 19.62 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 124.794 1.238 . . . . 0.0 111.936 173.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.35 132.99 43.69 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 121.169 -0.957 . . . . 0.0 112.617 -161.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.56 108.39 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.423 0 O-C-N 120.353 -1.467 . . . . 0.0 108.068 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 91.4 mt -85.69 62.68 7.62 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 118.883 -2.386 . . . . 0.0 112.495 -172.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -82.17 -93.8 0.06 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.306 1.842 . . . . 0.0 113.586 171.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 52.0 m -77.44 35.51 0.18 Allowed 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.103 -1.623 . . . . 0.0 114.762 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -118.27 -2.28 11.18 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.164 -1.585 . . . . 0.0 114.22 -168.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.9 118.46 36.86 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 119.701 -1.875 . . . . 0.0 111.083 -165.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.82 -39.85 5.91 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.295 -0.878 . . . . 0.0 113.096 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 CA--C 1.549 0.939 0 O-C-N 119.827 -1.795 . . . . 0.0 109.247 179.668 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 123.374 1.559 . . . . 0.0 107.816 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -91.34 124.79 35.8 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.194 1.798 . . . . 0.0 112.818 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.22 -48.84 10.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 121.103 -0.998 . . . . 0.0 111.223 -176.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -64.02 -13.82 14.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 O-C-N 120.788 -1.195 . . . . 0.0 114.098 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -57.01 -52.09 66.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.026 -1.671 . . . . 0.0 112.45 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -70.77 -30.21 66.64 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.519 -1.363 . . . . 0.0 110.984 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.04 -46.39 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.624 0.77 . . . . 0.0 111.82 172.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -56.93 -38.23 72.59 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.438 -2.039 . . . . 0.0 113.778 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -59.89 -55.06 38.79 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 120.817 -1.177 . . . . 0.0 113.087 166.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.1 -46.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 C-N-CA 126.21 1.804 . . . . 0.0 113.535 172.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.15 -45.71 89.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 120.751 -1.218 . . . . 0.0 110.052 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -56.02 -54.3 46.5 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.824 1.249 . . . . 0.0 112.818 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.73 -26.86 18.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 O-C-N 121.213 -0.929 . . . . 0.0 112.084 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.55 61.36 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.395 -1.441 . . . . 0.0 112.529 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 t -75.38 -54.63 6.74 Favored 'General case' 0 C--N 1.362 1.15 0 CA-C-O 124.475 2.084 . . . . 0.0 105.956 -169.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.2 mt -28.95 -59.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.167 1 C-N-CA 132.81 4.444 . . . . 0.0 113.523 162.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.13 -47.89 68.31 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.519 1.152 . . . . 0.0 113.251 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.26 -49.18 56.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.776 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.94 -46.67 88.63 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.787 1.279 . . . . 0.0 111.382 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -87.52 -58.71 2.48 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 125.644 1.577 . . . . 0.0 112.528 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -107.37 2.14 24.2 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.907 -1.121 . . . . 0.0 112.772 -166.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.39 6.3 tpp180 63.62 -119.37 0.51 Allowed 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.975 1.71 . . . . 0.0 113.743 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.63 -11.17 9.47 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 121.1 1.773 . . . . 0.0 115.1 -163.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.26 -55.1 39.15 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.339 -1.476 . . . . 0.0 114.073 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -75.5 -34.38 29.55 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 O-C-N 120.691 -1.256 . . . . 0.0 113.561 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -40.8 -45.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 128.566 2.746 . . . . 0.0 116.669 164.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -51.37 -46.73 62.86 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 123.564 1.649 . . . . 0.0 114.428 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -75.79 114.46 14.43 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 113.485 -1.689 . . . . 0.0 110.54 -163.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -77.02 -36.46 56.21 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.249 -1.532 . . . . 0.0 111.933 -160.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.96 -46.75 80.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.658 0.783 . . . . 0.0 111.755 172.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -57.13 -43.75 82.67 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.22 -51.74 68.48 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.559 -1.338 . . . . 0.0 113.46 -172.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.02 -50.75 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 1 C-N-CA 132.92 4.488 . . . . 0.0 112.394 162.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -25.27 66.09 Favored 'General case' 0 CA--C 1.543 0.711 1 O-C-N 116.099 -4.125 . . . . 0.0 116.918 175.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -31.79 72.66 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.389 1.876 . . . . 0.0 110.708 172.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.21 -46.55 67.14 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 120.591 -1.318 . . . . 0.0 110.363 174.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.49 -43.07 99.51 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.854 -1.779 . . . . 0.0 112.113 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.98 -49.55 2.49 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 169.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.1 pt -92.1 0.88 9.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 121.066 -1.022 . . . . 0.0 111.671 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.89 50.47 5.91 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 120.395 -1.44 . . . . 0.0 114.23 170.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -87.32 110.69 20.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.4 p -112.85 167.21 10.69 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.466 -1.396 . . . . 0.0 107.613 170.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -144.05 134.74 24.99 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 47.17 27.04 0.75 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 -0.5 89.33 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 120.622 -1.299 . . . . 0.0 115.086 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 118.892 1.346 . . . . 0.0 109.152 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -75.96 134.79 40.1 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 120.237 -1.54 . . . . 0.0 107.677 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.35 82.68 0.05 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -174.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.9 -172.63 3.24 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.933 2.093 . . . . 0.0 114.83 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -58.56 -70.91 0.13 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 -166.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -46.5 -46.94 19.41 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 126.237 1.815 . . . . 0.0 115.739 164.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -64.0 -31.95 73.33 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.092 -1.63 . . . . 0.0 115.023 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -66.58 -40.67 89.05 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.734 1.214 . . . . 0.0 110.371 169.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -71.34 -45.43 62.96 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.243 -1.536 . . . . 0.0 109.848 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -55.36 -43.04 74.71 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.943 2.097 . . . . 0.0 114.451 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.7 tt -65.63 -36.78 78.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 121.056 -1.027 . . . . 0.0 112.548 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.27 -49.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 128.209 2.604 . . . . 0.0 113.807 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.6 p -70.95 -34.42 71.46 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 119.568 -1.957 . . . . 0.0 113.875 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -94.76 25.39 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 123.183 2.72 . . . . 0.0 113.57 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.27 145.3 55.91 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-O 123.654 1.692 . . . . 0.0 113.788 164.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -81.11 148.91 29.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.818 1.247 . . . . 0.0 107.883 163.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.88 -37.43 87.36 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -172.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.9 -41.41 64.64 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 120.542 -1.348 . . . . 0.0 112.923 -173.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.8 -62.08 1.22 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 129.286 3.035 . . . . 0.0 114.305 167.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -66.4 -35.42 80.28 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -73.08 -26.74 61.37 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.091 -1.63 . . . . 0.0 110.143 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.0 m -58.71 -39.12 79.88 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 119.618 -1.927 . . . . 0.0 112.478 167.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.81 -53.63 51.27 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.625 -1.297 . . . . 0.0 112.807 166.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.84 -55.36 2.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 125.476 1.51 . . . . 0.0 112.556 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.83 -27.18 69.15 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.291 -1.506 . . . . 0.0 114.18 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -79.72 -66.47 0.87 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.996 -1.065 . . . . 0.0 110.77 170.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.07 94.77 4.32 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.857 1.313 . . . . 0.0 110.455 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.62 -52.89 63.77 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 127.224 2.209 . . . . 0.0 112.064 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.77 -32.97 74.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 125.152 1.381 . . . . 0.0 110.729 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.49 -59.95 7.87 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 125.459 1.504 . . . . 0.0 112.712 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -76.57 -45.69 29.39 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.59 -30.63 71.48 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.804 -1.81 . . . . 0.0 112.541 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.76 -59.26 11.13 Favored Glycine 0 CA--C 1.491 -1.411 0 C-N-CA 125.493 1.52 . . . . 0.0 114.029 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.54 -44.64 99.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 CA-C-N 118.394 1.097 . . . . 0.0 112.61 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -34.51 -67.11 0.15 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 127.774 2.43 . . . . 0.0 114.564 168.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.4 mtm-85 -59.84 -50.06 75.29 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.286 20.2 p90 -78.66 -27.74 45.3 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.8 -1.812 . . . . 0.0 113.776 -176.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.9 -50.41 73.88 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.83 -1.169 . . . . 0.0 112.706 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.99 -16.81 57.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.728 -1.232 . . . . 0.0 114.287 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 43.9 ttp -71.7 -56.3 6.07 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.929 -1.107 . . . . 0.0 111.901 169.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -82.13 -51.64 7.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 120.554 -1.341 . . . . 0.0 113.931 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.2 m -109.45 106.08 15.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.908 0.861 . . . . 0.0 111.329 -158.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -120.2 166.07 13.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.933 1.349 . . . . 0.0 113.524 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.358 0.969 0 C-N-CA 128.059 2.544 . . . . 0.0 111.349 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 121.144 0.497 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.08 -42.86 80.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 120.012 -1.68 . . . . 0.0 113.19 165.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.87 -55.05 37.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.617 -1.302 . . . . 0.0 113.473 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -80.13 -17.57 52.18 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 119.592 -1.943 . . . . 0.0 110.775 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 117.79 -22.25 10.04 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 112.746 161.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.06 144.96 38.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 22.2 p -82.35 158.72 23.27 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 113.157 -1.838 . . . . 0.0 112.421 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.2 -11.1 12.77 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.533 -1.98 . . . . 0.0 114.54 170.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -82.03 -25.56 34.54 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.385 -1.447 . . . . 0.0 110.444 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.26 -42.22 75.85 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.354 1.462 . . . . 0.0 111.203 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.65 -22.46 65.32 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.172 -0.955 . . . . 0.0 112.623 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.93 -63.21 1.11 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.641 1.21 . . . . 0.0 111.22 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.24 -27.54 42.93 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.72 -55.29 28.04 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 124.597 1.159 . . . . 0.0 111.381 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -56.18 -41.36 75.37 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.303 1.841 . . . . 0.0 112.804 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 28.2 mtt -73.94 -69.57 0.43 Allowed 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 119.323 -2.111 . . . . 0.0 114.331 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -97.59 -28.18 14.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.537 1.135 . . . . 0.0 113.897 -159.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.35 -26.92 21.97 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.343 1.428 . . . . 0.0 110.36 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 84.79 35.03 13.87 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 120.86 -1.15 . . . . 0.0 114.465 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 24.6 mt -109.77 112.21 39.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 169.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -96.28 91.65 5.98 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.873 1.321 . . . . 0.0 107.947 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -114.31 49.7 1.0 Allowed 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 120.886 -1.133 . . . . 0.0 109.683 -169.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -96.83 46.48 1.05 Allowed 'General case' 0 C--N 1.349 0.548 0 O-C-N 119.172 -2.205 . . . . 0.0 111.606 -161.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 5.7 t -173.0 173.61 3.67 Favored 'General case' 0 CA--C 1.507 -0.676 0 O-C-N 120.099 -1.626 . . . . 0.0 107.585 -152.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -70.3 137.41 50.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 115.284 -169.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -129.19 127.63 41.71 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.442 162.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 74.4 p -72.16 163.03 28.61 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.747 1.219 . . . . 0.0 110.956 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.0 -31.2 68.59 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 118.065 2.617 . . . . 0.0 118.065 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -69.85 -44.95 68.82 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.622 -1.299 . . . . 0.0 111.341 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.62 -41.96 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 127.376 2.27 . . . . 0.0 113.804 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.7 -46.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 C-N-CA 126.013 1.725 . . . . 0.0 111.403 166.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -64.14 -37.53 94.69 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 121.286 -0.884 . . . . 0.0 113.691 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.01 -39.73 72.22 Favored 'General case' 0 C--N 1.371 1.504 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -176.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -41.35 72.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 129.25 3.02 . . . . 0.0 111.827 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.31 -58.3 6.91 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.201 2.2 . . . . 0.0 111.96 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.05 -53.42 50.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 116.963 2.208 . . . . 0.0 116.963 165.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 74.8 t -50.45 -58.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.599 0 C-N-CA 125.56 1.544 . . . . 0.0 112.747 172.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 32.4 m -48.66 -43.51 36.78 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.312 -2.117 . . . . 0.0 115.245 166.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 56.8 ttp85 -64.89 -46.03 83.45 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 123.517 1.627 . . . . 0.0 109.607 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -60.37 -37.51 80.95 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.848 1.659 . . . . 0.0 111.53 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.55 -30.04 70.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.404 -2.06 . . . . 0.0 112.026 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 76.7 mt -70.71 -46.3 69.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 118.966 -2.334 . . . . 0.0 111.783 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 39.8 tpt85 -42.36 -46.48 4.65 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 119.158 3.022 . . . . 0.0 119.158 152.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -64.19 -41.92 96.87 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 119.328 -2.108 . . . . 0.0 114.082 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.08 -42.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.894 -1.754 . . . . 0.0 113.695 167.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.46 -55.6 29.83 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.272 2.229 . . . . 0.0 111.632 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.76 71.94 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.947 2.099 . . . . 0.0 113.855 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -66.23 -47.64 73.15 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.677 -1.264 . . . . 0.0 110.87 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.6 69.14 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 174.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.07 -13.28 60.47 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 120.18 -1.575 . . . . 0.0 112.853 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -87.38 -28.61 22.08 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.829 2.051 . . . . 0.0 109.187 170.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -69.22 -29.33 67.26 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 119.42 -2.05 . . . . 0.0 114.283 165.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.55 94.87 10.03 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 123.262 1.506 . . . . 0.0 110.446 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . 0.4 ' HG3' ' H ' ' B' ' 599' ' ' ARG . 65.8 mtp180 -83.89 -28.25 28.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 119.267 -2.146 . . . . 0.0 114.606 178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -81.15 119.05 74.83 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 121.015 -1.053 . . . . 0.0 110.545 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.32 163.7 24.67 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.305 2.003 . . . . 0.0 113.954 -165.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 53.8 p -160.39 -44.85 0.05 OUTLIER 'General case' 0 C--N 1.349 0.566 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -76.45 131.7 39.2 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 121.082 -1.011 . . . . 0.0 109.224 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 57.8 m -101.88 -44.82 5.39 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.914 -1.116 . . . . 0.0 108.411 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -43.77 87.26 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.788 1 C-N-CA 132.177 4.191 . . . . 0.0 118.51 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 40.5 t -136.82 108.5 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 O-C-N 120.091 -1.631 . . . . 0.0 107.968 167.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.43 102.77 11.11 Favored 'General case' 0 C--N 1.367 1.345 0 O-C-N 120.086 -1.634 . . . . 0.0 106.705 154.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -151.17 -69.6 0.17 Allowed 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 6.3 m -35.95 -62.58 0.42 Allowed 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 130.501 3.52 . . . . 0.0 118.23 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -127.41 -83.83 0.6 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 171.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -12.04 126.13 0.01 OUTLIER 'General case' 0 C--N 1.368 1.397 0 C-N-CA 129.941 3.296 . . . . 0.0 116.49 164.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . 0.358 14.7 m-20 25.63 -94.98 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 131.228 3.811 . . . . 0.0 119.022 -173.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 N--CA 1.439 -0.996 0 O-C-N 120.086 -1.633 . . . . 0.0 110.433 -176.181 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.6 m120 . . . . . 0 N--CA 1.441 -0.925 0 CA-C-O 123.68 1.705 . . . . 0.0 107.744 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -95.09 134.52 37.71 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.41 1.484 . . . . 0.0 110.774 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.424 ' OD1' ' HE1' ' A' ' 44' ' ' HIS . 74.9 m-20 -101.08 -30.84 11.37 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -164.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.8 mm -66.47 -24.97 34.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 123.882 0.873 . . . . 0.0 112.585 -160.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -52.82 63.81 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.454 1.501 . . . . 0.0 113.392 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 m -72.8 -34.18 66.74 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.259 -1.526 . . . . 0.0 111.981 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.86 -45.15 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.917 -0.489 . . . . 0.0 111.407 166.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -56.32 -43.96 79.49 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 119.709 -1.869 . . . . 0.0 114.856 165.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.08 -62.11 1.87 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.756 1.616 . . . . 0.0 113.082 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -43.39 -48.66 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 128.029 2.532 . . . . 0.0 114.155 172.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.33 -52.18 63.21 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 124.16 0.984 . . . . 0.0 110.492 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 m -61.1 -54.67 41.69 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.802 -1.186 . . . . 0.0 112.801 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.9 -33.33 60.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 O-C-N 120.925 -1.109 . . . . 0.0 112.343 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -28.75 67.84 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.054 -1.654 . . . . 0.0 114.27 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -69.9 -47.37 62.78 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 123.0 1.381 . . . . 0.0 108.1 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -31.79 -66.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 129.09 2.956 . . . . 0.0 115.439 157.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.08 -54.68 9.84 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.177 1.942 . . . . 0.0 112.866 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.59 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 C-N-CA 128.963 2.905 . . . . 0.0 111.49 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' A' ' 75' ' ' GLU . 34.2 mtpt -83.77 -32.23 25.52 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.5 -2.0 . . . . 0.0 113.844 -166.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.41 -67.32 0.59 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.199 1.0 . . . . 0.0 112.032 174.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -104.11 -18.3 14.58 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.6 -0.687 . . . . 0.0 112.234 -162.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 76.71 -175.59 0.11 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 126.021 1.728 . . . . 0.0 115.007 164.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 55.1 mp0 -42.23 -8.11 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 C-N-CA 129.621 3.169 . . . . 0.0 117.518 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.31 -49.43 42.77 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 125.76 1.624 . . . . 0.0 111.558 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.12 -52.85 11.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 O-C-N 119.402 -2.061 . . . . 0.0 109.606 172.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' HB ' ' HA ' ' A' ' 24' ' ' GLU . 72.5 t -36.63 -40.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 130.253 3.421 . . . . 0.0 116.99 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -50.47 -33.21 20.36 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.862 1.265 . . . . 0.0 113.735 175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -89.3 104.78 17.3 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 120.527 -1.358 . . . . 0.0 109.06 -164.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -51.43 -52.59 44.87 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.51 -50.59 69.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.358 1.463 . . . . 0.0 113.607 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -57.77 -41.26 81.64 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.132 2.173 . . . . 0.0 113.461 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.94 -53.14 61.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.798 -1.188 . . . . 0.0 112.603 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.27 -34.96 56.01 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 O-C-N 120.884 -1.135 . . . . 0.0 108.589 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -22.86 15.61 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -35.46 63.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.193 1.397 . . . . 0.0 110.34 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' C ' ' H ' ' A' ' 39' ' ' GLU . 2.8 mp -67.46 -45.72 75.13 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-O 123.098 1.428 . . . . 0.0 109.709 171.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.21 18.77 0.14 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.374 1.47 . . . . 0.0 114.366 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -100.7 -49.96 4.02 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.481 2.312 . . . . 0.0 108.033 176.048 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.7 pt -98.97 2.14 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.928 1.691 . . . . 0.0 109.828 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.37 52.52 12.81 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 124.921 1.248 . . . . 0.0 115.161 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.11 79.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.541 0 CA-C-N 118.522 1.161 . . . . 0.0 109.682 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -97.48 122.29 40.36 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.617 -1.302 . . . . 0.0 113.167 -170.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.424 ' HE1' ' OD1' ' A' ' 4' ' ' ASN . 84.0 t60 -90.59 138.01 31.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.057 -2.277 . . . . 0.0 111.305 170.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 46.92 36.68 4.17 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.554 1.942 . . . . 0.0 113.442 -173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.93 -0.44 72.27 Favored Glycine 0 C--N 1.345 1.032 0 C-N-CA 125.872 1.701 . . . . 0.0 115.427 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -115.58 154.9 28.58 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.481 -1.011 . . . . 0.0 110.4 -171.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -77.48 127.68 32.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.005 -1.685 . . . . 0.0 110.726 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 83.01 5.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.099 -1.626 . . . . 0.0 115.012 -168.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -74.7 171.99 12.92 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.46 -1.4 . . . . 0.0 111.024 167.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -40.93 -46.12 2.72 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 118.051 2.612 . . . . 0.0 118.051 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -47.81 -63.92 0.93 Allowed 'General case' 0 C--N 1.351 0.65 0 C-N-CA 125.95 1.7 . . . . 0.0 115.096 166.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -66.77 -33.22 75.15 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 125.044 1.338 . . . . 0.0 112.104 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -63.58 -51.95 63.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.737 1.615 . . . . 0.0 111.912 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.999 -1.688 . . . . 0.0 112.622 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -53.09 -49.68 65.95 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.053 1.341 . . . . 0.0 113.987 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.66 -25.32 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.82 -1.175 . . . . 0.0 113.628 -173.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.0 t -87.02 -38.03 11.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 128.195 2.598 . . . . 0.0 112.105 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -56.52 -61.45 2.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.876 1.67 . . . . 0.0 115.137 164.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -89.94 72.3 7.48 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.71 135.58 54.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -79.5 152.56 30.14 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.635 1.574 . . . . 0.0 109.993 -170.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.58 -58.6 3.51 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 -165.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.04 -50.74 61.02 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.781 -2.449 . . . . 0.0 113.349 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.318 45.9 m-20 -21.08 -68.37 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 150.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.31 -34.92 71.1 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 119.809 -1.807 . . . . 0.0 114.709 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.95 -37.89 46.56 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 124.972 1.309 . . . . 0.0 109.545 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -52.22 -51.34 58.87 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 127.387 2.275 . . . . 0.0 112.288 163.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.53 -55.99 26.87 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.749 -1.22 . . . . 0.0 113.327 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -45.72 -43.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.284 1.434 . . . . 0.0 113.229 168.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.07 -29.98 69.9 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -81.64 -74.39 0.34 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.17 1.388 . . . . 0.0 109.963 171.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -86.44 82.13 8.07 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.915 2.486 . . . . 0.0 109.309 -175.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.59 -52.51 13.22 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 119.939 -1.725 . . . . 0.0 110.396 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 20' ' ' LYS . 46.6 mt-10 -74.86 -35.27 62.34 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.983 -1.073 . . . . 0.0 110.314 172.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.71 91.78 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 115.146 0.819 . . . . 0.0 115.146 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -68.17 -59.35 3.29 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.185 1.493 . . . . 0.0 111.454 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.84 -30.91 71.85 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 123.587 0.755 . . . . 0.0 111.924 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.03 -57.79 17.96 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.982 1.277 . . . . 0.0 113.586 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.92 -36.46 57.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 120.674 -1.486 . . . . 0.0 113.645 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.59 -65.75 0.52 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -71.17 -30.88 66.97 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -40.21 81.96 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.722 1.146 . . . . 0.0 111.51 172.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.24 -53.47 43.88 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.643 1.577 . . . . 0.0 112.184 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -63.19 -24.2 67.77 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -83.27 -50.68 8.15 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.347 1.459 . . . . 0.0 112.251 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -70.0 -50.45 41.5 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -175.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 p -89.36 97.97 11.5 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.701 1.137 . . . . 0.0 108.364 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -93.59 96.41 9.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.646 -1.283 . . . . 0.0 110.052 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 pttm . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.908 -1.12 . . . . 0.0 112.299 -177.158 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.9 t -53.65 -47.9 60.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 113.101 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.13 -53.12 61.89 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 126.907 2.083 . . . . 0.0 113.717 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.17 -44.08 26.88 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 121.143 -0.973 . . . . 0.0 110.9 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 134.88 -18.64 4.02 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 115.621 1.008 . . . . 0.0 115.621 165.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.71 134.78 34.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.38 1.59 . . . . 0.0 110.278 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 60.7 p -69.63 167.73 16.32 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -48.79 -35.66 14.9 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 126.022 1.729 . . . . 0.0 115.454 158.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -63.52 -48.97 75.38 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 123.466 1.603 . . . . 0.0 111.226 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 128.085 2.554 . . . . 0.0 111.224 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.9 68.57 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.364 1.465 . . . . 0.0 113.573 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.21 -46.51 41.41 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 120.67 -1.269 . . . . 0.0 110.335 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 39.6 t -54.8 -37.85 42.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 119.15 -2.218 . . . . 0.0 113.637 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.85 -53.88 46.36 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.053 1.741 . . . . 0.0 113.455 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -82.92 -3.85 57.49 Favored 'General case' 0 C--N 1.342 0.267 0 O-C-N 120.197 -1.564 . . . . 0.0 114.242 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 64.7 mtm -89.17 -68.22 0.79 Allowed 'General case' 0 C--N 1.351 0.647 0 O-C-N 119.991 -1.693 . . . . 0.0 112.44 167.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -99.98 -36.38 9.4 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.313 -1.492 . . . . 0.0 112.796 -166.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -76.56 -19.24 58.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.869 -1.144 . . . . 0.0 109.312 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.2 30.41 71.78 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 125.362 1.458 . . . . 0.0 115.728 169.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -97.75 123.65 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.06 98.31 10.79 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.312 -0.868 . . . . 0.0 109.317 -170.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptp -118.43 133.29 56.0 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 173.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.2 p30 176.2 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.471 1.487 . . . . 0.0 111.598 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -175.3 5.01 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 120.371 -1.455 . . . . 0.0 109.672 173.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.06 119.1 12.13 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 122.15 0.976 . . . . 0.0 112.194 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -110.86 131.77 54.77 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 3.0 m -71.02 150.33 45.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 124.469 1.108 . . . . 0.0 109.355 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.33 -24.94 61.22 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 119.464 -2.022 . . . . 0.0 114.928 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.09 -48.88 74.46 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.094 -1.629 . . . . 0.0 113.589 163.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.534 1.534 . . . . 0.0 113.782 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.0 t -53.6 -46.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 125.541 1.536 . . . . 0.0 112.182 168.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.28 -44.07 96.78 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.097 -1.002 . . . . 0.0 113.799 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -73.36 -25.13 60.46 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.162 0.982 . . . . 0.0 110.999 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -70.81 -23.99 62.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 119.394 -2.066 . . . . 0.0 112.7 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -74.32 -63.72 1.17 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 125.002 1.321 . . . . 0.0 112.57 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -16.76 -65.3 0.01 OUTLIER 'General case' 0 C--N 1.354 0.791 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 147.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.15 -58.99 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.42 1.488 . . . . 0.0 112.442 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 27.2 m -44.49 -47.49 10.04 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 167.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -69.65 -37.91 76.93 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.46 -2.025 . . . . 0.0 111.84 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -56.76 -49.54 74.96 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.37 1.468 . . . . 0.0 112.199 165.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -55.07 -39.58 69.4 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.11 -38.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 O-C-N 121.013 -1.055 . . . . 0.0 112.164 173.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -73.49 -17.13 61.26 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 121.69 2.041 . . . . 0.0 110.371 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -78.47 -38.13 41.81 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 124.721 1.208 . . . . 0.0 112.256 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 91.6 mt -54.57 -50.11 61.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 120.329 -1.482 . . . . 0.0 112.769 168.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.42 -55.83 19.1 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 129.624 3.17 . . . . 0.0 112.235 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -45.76 -44.49 13.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.637 1.975 . . . . 0.0 114.693 172.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -81.64 -42.4 20.05 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.139 -0.975 . . . . 0.0 112.387 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.28 76.25 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 125.305 1.442 . . . . 0.0 113.989 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.61 -0.89 16.7 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 171.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -98.35 -25.6 14.77 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 119.888 -1.758 . . . . 0.0 109.208 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -69.93 -23.45 63.21 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 170.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.29 -179.12 6.06 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.308 1.043 . . . . 0.0 110.02 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -164.44 -36.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.2 -0.937 . . . . 0.0 112.828 -164.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -73.69 157.61 87.29 Favored Pre-proline 0 C--N 1.351 0.657 0 O-C-N 120.234 -1.541 . . . . 0.0 111.424 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -65.13 157.02 59.66 Favored 'Trans proline' 0 C--N 1.332 -0.319 0 CA-C-N 122.473 1.919 . . . . 0.0 115.369 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 47.6 t -147.06 -79.34 0.16 Allowed 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 124.078 0.951 . . . . 0.0 108.627 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -104.12 115.54 30.6 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 68.8 m -110.05 -21.67 12.19 Favored 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 120.889 -1.132 . . . . 0.0 113.217 -162.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -78.83 157.09 28.44 Favored 'General case' 0 C--N 1.344 0.344 0 O-C-N 120.571 -1.331 . . . . 0.0 112.079 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 20.3 t -85.63 117.89 31.36 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 O-C-N 120.465 -1.397 . . . . 0.0 110.053 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 64.4 mt -91.57 -166.81 1.65 Allowed 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.684 -1.26 . . . . 0.0 111.61 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -78.77 70.22 5.08 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 119.479 -2.013 . . . . 0.0 113.316 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 8.1 t -102.94 -121.69 0.19 Allowed 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 120.862 -1.149 . . . . 0.0 108.53 170.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -29.65 -63.72 0.12 Allowed 'General case' 0 C--N 1.358 0.973 0 C-N-CA 128.664 2.786 . . . . 0.0 116.502 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.13 -27.93 48.99 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 127.832 2.453 . . . . 0.0 116.352 -172.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -107.48 -136.07 0.36 Allowed 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 126.853 2.061 . . . . 0.0 110.866 -170.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 37.8 p30 . . . . . 0 N--CA 1.443 -0.801 0 O-C-N 119.954 -1.716 . . . . 0.0 109.371 174.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 . . . . . 0 N--CA 1.43 -1.453 0 CA-C-O 122.829 1.3 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -141.8 127.63 19.33 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -67.73 -39.12 84.32 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.056 -2.277 . . . . 0.0 113.575 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.1 tp -65.74 -35.08 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.05 -46.22 71.88 Favored 'General case' 0 N--CA 1.429 -1.499 1 C-N-CA 131.749 4.02 . . . . 0.0 110.154 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.3 m -78.87 -35.3 44.01 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 127.275 2.23 . . . . 0.0 112.656 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.92 -45.23 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 120.004 -1.685 . . . . 0.0 111.778 169.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -52.16 -37.42 54.49 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 118.872 -2.392 . . . . 0.0 116.766 167.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.95 -51.43 58.63 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.47 -44.73 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.937 2.095 . . . . 0.0 111.678 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.52 -50.49 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.724 -2.485 . . . . 0.0 114.225 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -66.82 -40.95 88.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -167.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.68 -33.58 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.17 66.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.304 -1.498 . . . . 0.0 113.826 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -55.0 -54.57 41.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 113.186 168.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.7 -39.66 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.94 -36.09 79.52 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.872 -1.767 . . . . 0.0 113.4 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 mm -68.71 -29.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 O-C-N 117.587 -3.195 . . . . 0.0 109.937 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -70.61 -53.98 13.79 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.58 -1.325 . . . . 0.0 113.079 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -82.18 -43.95 17.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -110.93 -33.28 6.56 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.383 -2.073 . . . . 0.0 113.61 -176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.26 39.5 mtm180 84.92 -144.35 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.108 2.963 . . . . 0.0 113.976 -174.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.6 -19.84 62.07 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.328 -2.732 . . . . 0.0 116.973 -167.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -54.53 -37.9 65.94 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.178 2.991 . . . . 0.0 115.898 -171.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.8 mt -76.26 -46.49 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 O-C-N 119.611 -1.931 . . . . 0.0 111.387 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -19.57 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.938 -1.727 . . . . 0.0 112.009 -172.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.94 2.496 . . . . 0.0 111.103 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -92.62 140.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.733 1.254 . . . . 0.0 110.515 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.69 -40.14 34.66 Favored 'General case' 0 N--CA 1.43 -1.428 1 O-C-N 116.275 -4.016 . . . . 0.0 111.356 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -58.26 9.37 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.09 -44.16 87.46 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -64.67 -35.08 79.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.19 -43.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.91 -2.369 . . . . 0.0 110.187 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.06 -42.14 27.76 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.676 2.39 . . . . 0.0 115.851 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.12 -50.26 74.73 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.985 1.314 . . . . 0.0 114.453 171.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.69 -39.5 91.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.517 1.627 . . . . 0.0 114.04 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -33.81 71.63 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.917 -1.114 . . . . 0.0 113.821 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -54.41 -58.48 7.28 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.71 -1.869 . . . . 0.0 115.123 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 pt -75.68 -28.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.801 -1.812 . . . . 0.0 113.106 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.91 65.72 1.09 Allowed Glycine 0 N--CA 1.43 -1.712 0 CA-C-N 120.578 1.535 . . . . 0.0 113.284 165.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.2 148.21 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 166.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -156.42 142.42 18.05 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -136.95 128.81 29.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.858 2.063 . . . . 0.0 107.61 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 52.36 32.09 10.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.047 2.539 . . . . 0.0 117.152 -170.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.44 -10.54 66.5 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 118.407 -2.683 . . . . 0.0 112.103 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -102.44 128.59 48.98 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 124.206 1.955 . . . . 0.0 112.292 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -79.08 135.14 36.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 118.459 -2.65 . . . . 0.0 113.154 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.472 0.0 OUTLIER -75.52 96.83 3.57 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 -166.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -77.9 177.48 8.2 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.42 -1.425 . . . . 0.0 110.851 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -33.4 -54.55 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 130.952 3.701 . . . . 0.0 115.654 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -61.43 -50.46 72.72 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.783 2.033 . . . . 0.0 114.0 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -70.97 -32.81 69.78 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.691 2.396 . . . . 0.0 110.891 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.23 -54.44 44.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.413 2.285 . . . . 0.0 110.175 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -67.33 -26.75 66.66 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.895 1.678 . . . . 0.0 113.854 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.36 -67.33 0.46 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.765 1.226 . . . . 0.0 111.095 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.2 tt -66.16 -32.21 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -167.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.91 -18.55 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.258 -1.527 . . . . 0.0 112.585 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -99.53 -45.17 5.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.71 -10.77 60.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.937 2.94 . . . . 0.0 118.937 -171.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.24 159.83 30.44 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . 0.255 20.5 p -76.38 174.84 9.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.313 -2.117 . . . . 0.0 114.141 -166.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.14 -49.67 66.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.602 3.161 . . . . 0.0 112.999 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -73.8 -39.67 63.96 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.341 2.256 . . . . 0.0 111.968 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -51.0 -58.76 5.23 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.34 -36.26 78.99 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.939 -1.725 . . . . 0.0 109.526 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -59.9 -45.32 92.92 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.02 -1.675 . . . . 0.0 113.901 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.5 m -56.02 -45.45 79.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 124.726 2.203 . . . . 0.0 113.278 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.84 -43.61 83.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.327 -2.108 . . . . 0.0 111.98 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.42 -52.74 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 124.644 1.178 . . . . 0.0 112.999 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -63.52 -20.58 65.73 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -89.09 -64.76 1.1 Allowed 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.409 1.084 . . . . 0.0 112.351 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -118.58 96.92 5.49 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.991 -1.693 . . . . 0.0 107.98 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.75 -56.0 9.47 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.568 1.147 . . . . 0.0 111.769 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.23 -35.44 80.34 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.994 -1.691 . . . . 0.0 113.836 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.71 -52.95 49.28 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 125.807 1.67 . . . . 0.0 113.751 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -60.89 -60.83 3.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.826 -1.985 . . . . 0.0 113.267 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.67 -40.1 59.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -52.3 27.8 Favored Glycine 0 N--CA 1.429 -1.785 0 C-N-CA 125.586 1.565 . . . . 0.0 111.917 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.5 t -59.63 -46.67 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 125.666 1.587 . . . . 0.0 111.038 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -54.12 -50.13 67.6 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.837 1.655 . . . . 0.0 114.892 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -67.44 -41.84 84.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.48 -29.73 65.16 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.616 -1.302 . . . . 0.0 112.875 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.3 mt -54.93 -50.67 68.28 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.535 -2.603 . . . . 0.0 113.288 166.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -74.71 -28.27 60.73 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.267 -2.146 . . . . 0.0 113.366 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.8 tpp -68.27 -53.35 25.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.758 1.266 . . . . 0.0 112.313 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -108.17 -44.81 4.07 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.106 -2.246 . . . . 0.0 112.795 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.2 m -89.33 96.98 10.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.899 -1.751 . . . . 0.0 111.339 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.35 163.35 12.9 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.496 3.147 . . . . 0.0 119.496 -165.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 N--CA 1.43 -1.468 0 O-C-N 120.161 -1.587 . . . . 0.0 111.058 -178.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 120.611 0.243 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 79.9 t -70.21 -36.1 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 111.952 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 84.5 mt -72.23 -49.43 35.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.359 -1.463 . . . . 0.0 111.3 172.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.26 -59.63 3.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -175.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.66 -24.7 9.47 Favored Glycine 0 N--CA 1.43 -1.715 0 C-N-CA 123.836 0.731 . . . . 0.0 111.389 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.55 142.01 36.12 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 166.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.37 162.66 14.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.652 -1.28 . . . . 0.0 111.381 175.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.84 -22.3 14.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.569 -2.582 . . . . 0.0 115.746 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -76.46 -27.04 55.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -78.17 -35.88 48.18 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.61 -2.556 . . . . 0.0 106.366 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.47 74.52 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 167.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.62 -47.2 80.17 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 124.614 2.149 . . . . 0.0 113.416 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.54 -40.55 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 117.554 -3.216 . . . . 0.0 114.445 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.5 -32.91 69.25 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -81.77 -45.78 15.15 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.067 -1.646 . . . . 0.0 115.213 170.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 60.2 mtm -60.25 -52.9 63.32 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.983 -1.698 . . . . 0.0 114.078 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -104.14 -55.93 2.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.74 -40.28 95.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 127.105 2.162 . . . . 0.0 110.73 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.26 54.28 2.31 Favored Glycine 0 N--CA 1.43 -1.764 0 C-N-CA 126.071 1.796 . . . . 0.0 111.493 165.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.6 mt -119.71 134.42 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.05 104.23 14.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 123.343 0.657 . . . . 0.0 110.13 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -141.04 67.43 1.35 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.47 -1.394 . . . . 0.0 110.442 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.7 -3.51 17.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.13 -2.856 . . . . 0.0 116.243 -171.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . 0.263 4.4 m -97.41 -107.48 0.17 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 122.291 1.043 . . . . 0.0 113.528 -165.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -110.72 150.12 29.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.61 -1.931 . . . . 0.0 110.6 -173.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -136.27 139.69 42.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.586 -1.946 . . . . 0.0 108.514 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 33.0 p -104.11 179.08 4.37 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.495 1.918 . . . . 0.0 109.195 156.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.31 -45.11 89.34 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.703 -1.873 . . . . 0.0 110.163 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.58 -47.7 76.01 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 171.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.09 -32.52 74.26 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.792 -1.817 . . . . 0.0 114.146 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.18 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.686 2.494 . . . . 0.0 111.826 166.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.85 -35.96 91.53 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.876 -2.39 . . . . 0.0 113.929 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.93 -54.73 41.45 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.425 -2.22 . . . . 0.0 113.208 173.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.65 -28.13 69.7 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.21 -59.08 5.64 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.749 -1.844 . . . . 0.0 111.285 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.79 -30.72 71.74 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.06 -51.2 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 168.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 81.1 m -59.56 -44.04 93.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.438 1.895 . . . . 0.0 112.05 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -55.77 -46.67 77.86 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.403 1.881 . . . . 0.0 114.52 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.59 -30.72 68.55 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.092 -2.88 . . . . 0.0 114.69 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -64.52 -37.75 88.63 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.458 1.123 . . . . 0.0 111.676 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.17 -47.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 124.836 1.254 . . . . 0.0 112.403 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.84 -28.66 64.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -62.74 -40.63 97.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.224 -1.547 . . . . 0.0 112.231 165.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.38 -49.37 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 119.301 -2.124 . . . . 0.0 111.284 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -53.77 -51.42 63.47 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.802 2.441 . . . . 0.0 115.213 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -48.92 -56.04 10.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.603 1.961 . . . . 0.0 114.119 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -64.5 -42.72 95.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.998 1.319 . . . . 0.0 113.764 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.49 88.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.33 -37.06 82.69 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.05 1.74 . . . . 0.0 112.262 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -65.86 -38.82 89.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 117.621 -3.174 . . . . 0.0 114.042 169.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -68.28 -31.72 71.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.864 2.066 . . . . 0.0 116.025 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.28 95.57 5.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.437 -2.039 . . . . 0.0 111.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -74.8 -3.72 33.45 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 118.012 2.597 . . . . 0.0 118.012 -161.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.99 138.84 21.63 Favored Pre-proline 0 N--CA 1.431 -1.418 0 CA-C-O 115.99 -1.957 . . . . 0.0 106.216 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.21 156.58 61.83 Favored 'Trans proline' 0 N--CA 1.434 -1.994 0 C-N-CA 124.177 3.251 . . . . 0.0 109.768 -158.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 53.2 p -140.09 -177.77 5.15 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.857 2.063 . . . . 0.0 110.828 -168.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 23.7 mtt-85 -86.11 103.27 14.61 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 117.889 -3.007 . . . . 0.0 109.405 161.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 67.2 m -69.32 -24.2 63.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.998 1.38 . . . . 0.0 111.131 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -160.93 150.18 16.86 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.164 2.986 . . . . 0.0 105.726 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 49.1 t -117.23 112.68 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 157.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . 0.342 2.3 mm? 6.32 -138.33 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.431 1 C-N-CA 132.917 4.487 . . . . 0.0 119.407 -157.094 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -141.86 -122.75 0.1 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.212 -2.18 . . . . 0.0 107.778 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 81.0 p -86.49 -1.12 57.33 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.028 -1.67 . . . . 0.0 109.989 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -60.29 -24.83 65.26 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 130.237 3.415 . . . . 0.0 115.099 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.36 -87.89 0.05 OUTLIER 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 120.187 -1.571 . . . . 0.0 108.781 178.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -114.19 128.64 56.46 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.634 -1.291 . . . . 0.0 111.727 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 N--CA 1.429 -1.499 0 O-C-N 120.055 -1.653 . . . . 0.0 110.526 -176.066 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 122.608 1.194 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -113.73 111.92 22.59 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.989 1.716 . . . . 0.0 110.256 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -74.31 -41.72 60.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.752 -1.217 . . . . 0.0 111.038 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.45 -22.39 27.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 124.789 1.235 . . . . 0.0 114.275 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.64 -50.61 72.58 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 126.499 1.92 . . . . 0.0 111.345 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 m -65.88 -43.1 89.33 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.506 -1.371 . . . . 0.0 112.095 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.39 -48.52 56.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 C-N-CA 123.377 0.671 . . . . 0.0 112.407 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -50.4 -44.29 54.97 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.457 -1.402 . . . . 0.0 114.654 169.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.75 -59.6 5.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.624 -1.297 . . . . 0.0 113.223 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.14 -47.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 126.36 1.864 . . . . 0.0 112.768 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.1 -42.11 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 O-C-N 121.358 -0.839 . . . . 0.0 111.488 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 m -53.7 -52.34 60.39 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.56 -1.337 . . . . 0.0 113.08 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.73 -31.08 40.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 O-C-N 120.364 -1.46 . . . . 0.0 112.695 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.71 64.32 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 119.871 -1.768 . . . . 0.0 112.892 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.9 m -72.98 -51.32 18.79 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.748 1.737 . . . . 0.0 107.33 -172.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.6 mt -33.28 -56.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 128.815 2.846 . . . . 0.0 115.592 159.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -47.2 -50.23 21.24 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-O 123.226 1.489 . . . . 0.0 112.915 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.03 -53.52 33.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 128.433 2.693 . . . . 0.0 110.375 -178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -66.71 -42.36 86.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 123.933 1.825 . . . . 0.0 112.52 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.93 -58.59 2.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 113.255 -1.793 . . . . 0.0 110.821 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -100.63 1.26 40.52 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.034 -1.041 . . . . 0.0 112.474 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.289 1.1 tpp180 64.34 -123.43 0.48 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 125.116 1.366 . . . . 0.0 112.136 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.4 -2.22 31.41 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.925 2.148 . . . . 0.0 113.093 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -42.26 -68.97 0.15 Allowed 'General case' 0 C--N 1.35 0.602 0 C-N-CA 128.13 2.572 . . . . 0.0 116.457 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.5 pt -87.31 -23.34 6.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 O-C-N 120.169 -1.582 . . . . 0.0 111.824 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t -61.3 -51.36 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 128.819 2.847 . . . . 0.0 113.56 170.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -55.23 -59.25 5.05 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.496 1.519 . . . . 0.0 113.443 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 102.87 1.93 Allowed 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.854 1.662 . . . . 0.0 110.61 -169.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -55.11 -56.57 18.38 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -159.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -40.08 67.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.259 1.423 . . . . 0.0 114.102 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -56.69 -41.63 77.69 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.333 1.453 . . . . 0.0 114.094 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -62.1 -63.88 1.11 Allowed 'General case' 0 CA--C 1.555 1.163 0 O-C-N 119.479 -2.013 . . . . 0.0 114.045 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 mt -27.52 -67.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 128.595 2.758 . . . . 0.0 114.99 144.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.2 -28.89 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 118.303 -2.748 . . . . 0.0 116.214 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.03 -39.32 75.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.717 1.607 . . . . 0.0 111.309 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.41 -46.2 80.95 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-O 122.877 1.322 . . . . 0.0 112.474 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.29 -46.25 91.1 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.428 -1.42 . . . . 0.0 113.077 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -33.17 -56.71 0.4 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.606 2.362 . . . . 0.0 115.826 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.52 -7.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 O-C-N 121.798 -0.564 . . . . 0.0 111.973 -173.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.19 66.12 1.64 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 120.311 -1.493 . . . . 0.0 115.025 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -101.42 112.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 167.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.1 p -113.18 170.06 8.49 Favored 'General case' 0 C--N 1.368 1.39 0 CA-C-O 122.811 1.291 . . . . 0.0 112.011 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -137.53 140.02 40.84 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 48.26 35.03 5.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.436 1.894 . . . . 0.0 113.469 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.22 -2.47 86.98 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.879 1.705 . . . . 0.0 115.339 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -110.81 132.21 54.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.867 1.667 . . . . 0.0 109.612 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.43 125.55 29.51 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.316 -1.49 . . . . 0.0 108.975 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -75.47 105.9 6.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 123.937 1.827 . . . . 0.0 115.836 -161.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -75.53 -177.1 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.368 -1.458 . . . . 0.0 112.954 168.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -55.64 -41.11 73.11 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.35 1.46 . . . . 0.0 114.76 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -53.23 -63.58 1.1 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.226 2.21 . . . . 0.0 111.787 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -59.24 -43.7 92.38 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.907 -1.121 . . . . 0.0 113.454 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -53.37 -52.54 58.94 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.352 1.861 . . . . 0.0 113.603 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -80.29 -28.7 38.23 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.687 -1.258 . . . . 0.0 112.48 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.66 -41.23 84.11 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.115 -1.615 . . . . 0.0 114.223 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.1 tt -67.4 -37.47 79.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 O-C-N 119.859 -1.776 . . . . 0.0 112.726 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.19 -40.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 C-N-CA 128.647 2.779 . . . . 0.0 113.475 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -93.52 -19.64 21.02 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 119.283 -2.136 . . . . 0.0 114.238 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.72 21.15 11.79 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 122.641 2.473 . . . . 0.0 111.981 162.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.17 138.6 58.52 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.791 1.636 . . . . 0.0 113.056 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.0 m -75.35 143.02 43.07 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.319 1.448 . . . . 0.0 112.383 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.56 -51.12 62.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.363 -2.085 . . . . 0.0 116.312 -168.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.15 -34.46 76.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 119.402 -2.062 . . . . 0.0 114.314 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 17.3 m-20 -55.38 -54.54 42.37 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.723 1.609 . . . . 0.0 114.339 171.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -61.72 -39.81 92.85 Favored 'General case' 0 C--N 1.369 1.438 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.827 178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 49.4 tptt -71.68 -32.52 67.93 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 121.534 -0.729 . . . . 0.0 110.89 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 m -56.73 -39.27 73.65 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.436 -1.415 . . . . 0.0 112.922 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.96 -55.05 14.17 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.8 -1.813 . . . . 0.0 112.191 169.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.424 ' HB ' ' HA ' ' A' ' 67' ' ' LYS . 13.3 mm -45.96 -54.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 127.057 2.143 . . . . 0.0 112.321 175.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.24 -19.46 65.98 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.716 -1.24 . . . . 0.0 113.323 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -87.37 -64.04 1.21 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.883 -1.136 . . . . 0.0 111.118 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -98.97 84.36 3.06 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 126.639 1.975 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -67.53 -51.69 47.85 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.914 -1.117 . . . . 0.0 113.412 -174.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.05 -41.63 12.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.736 1.214 . . . . 0.0 109.981 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.12 -47.47 89.65 Favored Glycine 0 C--N 1.351 1.396 0 C-N-CA 125.218 1.39 . . . . 0.0 115.02 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 -55.05 5.73 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.5 -1.588 . . . . 0.0 111.521 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -59.12 -42.67 91.14 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 125.534 1.534 . . . . 0.0 112.016 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.14 -22.81 71.05 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 124.873 1.225 . . . . 0.0 115.199 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.3 t -88.48 -52.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 121.331 2.565 . . . . 0.0 111.038 172.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.05 -24.23 61.49 Favored 'General case' 0 C--N 1.362 1.142 0 O-C-N 119.88 -1.762 . . . . 0.0 113.48 -166.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -75.4 -35.31 61.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.15 -0.969 . . . . 0.0 111.553 170.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -67.34 -37.31 83.05 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.665 -1.272 . . . . 0.0 111.266 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.3 tt -49.18 -54.02 18.45 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.86 1.264 . . . . 0.0 112.74 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -79.66 -22.1 43.93 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.0 mtp -66.0 -33.54 76.04 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.987 -1.695 . . . . 0.0 111.795 167.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -74.78 -55.62 5.65 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.125 -0.984 . . . . 0.0 113.002 170.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -100.81 95.95 6.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.316 1.417 . . . . 0.0 111.857 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -85.71 118.44 25.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.836 1.254 . . . . 0.0 111.301 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 C--N 1.348 0.528 0 O-C-N 120.028 -1.67 . . . . 0.0 112.03 177.694 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 59.3 t -52.76 -41.9 40.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 168.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.43 -47.75 84.27 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.364 -1.46 . . . . 0.0 114.848 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -82.27 -31.23 30.2 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.611 0.764 . . . . 0.0 112.031 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.98 -32.97 2.15 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 120.732 -1.23 . . . . 0.0 112.238 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.14 108.92 19.12 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.305 1.526 . . . . 0.0 113.858 -162.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 170.51 16.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 119.011 -2.305 . . . . 0.0 111.815 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -43.31 -29.16 0.39 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 128.066 2.546 . . . . 0.0 117.462 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -75.89 -52.04 11.18 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 124.373 2.035 . . . . 0.0 111.041 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.08 -47.75 84.1 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 129.654 3.181 . . . . 0.0 112.123 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.98 78.5 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 125.049 1.34 . . . . 0.0 113.562 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -66.49 -49.15 67.56 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.643 0.777 . . . . 0.0 110.136 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.48 -44.86 85.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 122.347 1.07 . . . . 0.0 112.131 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.14 -66.17 0.45 Allowed 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.553 2.341 . . . . 0.0 112.221 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -81.75 -2.1 49.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.569 -1.957 . . . . 0.0 114.524 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 87.9 mmm -86.26 -56.41 3.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.752 1.16 . . . . 0.0 112.395 163.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -94.08 -50.3 5.37 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.209 1.004 . . . . 0.0 112.56 -167.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.49 -38.59 74.37 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.913 0.885 . . . . 0.0 110.129 -175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 92.48 15.18 54.08 Favored Glycine 0 C--N 1.348 1.2 0 N-CA-C 118.392 2.117 . . . . 0.0 118.392 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 32.8 mt -92.97 126.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 119.382 1.591 . . . . 0.0 107.438 162.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -89.88 111.89 23.07 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.299 1.04 . . . . 0.0 110.912 -170.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -133.55 65.33 1.59 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.543 1.137 . . . . 0.0 112.844 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -23.91 9.84 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.325 1.45 . . . . 0.0 108.863 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.1 t -87.63 -174.37 4.75 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 120.436 -1.415 . . . . 0.0 110.575 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.79 112.16 1.93 Allowed 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.644 1.578 . . . . 0.0 112.911 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.38 121.68 44.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 38.4 p -72.71 158.63 35.24 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 120.615 -1.303 . . . . 0.0 110.229 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.59 -19.6 65.81 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.178 -2.201 . . . . 0.0 112.98 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -55.2 -47.77 74.81 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.221 1.809 . . . . 0.0 114.988 157.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.3 -26.45 55.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.726 2.41 . . . . 0.0 113.703 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.03 -43.07 96.1 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-O 122.883 1.325 . . . . 0.0 110.774 164.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.04 -50.54 66.37 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 120.482 -1.386 . . . . 0.0 112.648 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -66.24 -24.79 66.65 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.547 -0.973 . . . . 0.0 112.471 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.99 -20.31 56.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.509 -1.995 . . . . 0.0 113.249 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -20.74 59.83 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.197 -2.19 . . . . 0.0 114.051 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -70.06 -67.54 0.48 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.564 2.745 . . . . 0.0 116.545 148.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.27 84.4 t -64.05 -53.3 45.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -163.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 24.9 m -42.26 -47.73 4.82 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -58.15 -45.32 87.59 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 118.799 -2.438 . . . . 0.0 113.845 173.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -50.67 -56.48 11.72 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.602 0.715 . . . . 0.0 111.881 168.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -54.18 -45.78 72.2 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.795 -1.191 . . . . 0.0 113.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.68 -38.69 73.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.721 1.608 . . . . 0.0 110.364 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.4 -12.72 60.91 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 119.378 -2.076 . . . . 0.0 112.237 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -89.64 -26.97 20.46 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.976 1.71 . . . . 0.0 112.915 169.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.56 -50.88 78.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 120.538 -1.351 . . . . 0.0 112.014 162.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.16 -52.99 56.98 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 129.273 3.029 . . . . 0.0 111.506 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -35.75 -50.75 0.65 Allowed 'General case' 0 C--N 1.349 0.578 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 166.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -74.44 -53.83 8.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.925 -1.109 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.44 73.35 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 126.801 2.041 . . . . 0.0 113.634 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 48.4 mt -61.12 -43.72 98.44 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -74.92 -26.11 59.4 Favored 'General case' 0 C--N 1.366 1.307 0 O-C-N 119.532 -1.98 . . . . 0.0 111.224 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -60.54 -23.52 64.67 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.516 1.526 . . . . 0.0 113.893 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.8 mt -81.9 91.11 6.5 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.607 -1.308 . . . . 0.0 111.285 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -83.1 -12.87 56.67 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.986 -1.696 . . . . 0.0 114.002 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.09 110.93 12.48 Favored Pre-proline 0 C--N 1.352 0.699 0 O-C-N 120.017 -1.677 . . . . 0.0 107.664 160.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.96 96.78 0.95 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.606 2.204 . . . . 0.0 112.856 -156.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 66.1 m -79.93 68.25 5.98 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 124.09 0.956 . . . . 0.0 110.798 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -125.34 138.13 54.06 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 124.293 1.037 . . . . 0.0 111.318 -169.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 51.4 p -127.79 -78.4 0.58 Allowed 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -147.09 -174.21 4.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.682 0.793 . . . . 0.0 111.136 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.5 p -99.48 68.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-O 124.089 1.899 . . . . 0.0 110.46 -174.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.81 130.66 42.06 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.308 -1.495 . . . . 0.0 111.283 -168.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -55.22 3.52 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 114.798 1.406 . . . . 0.0 114.798 -164.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 5.0 m -114.85 -50.68 2.76 Favored 'General case' 0 C--N 1.368 1.411 0 CA-C-N 121.043 1.747 . . . . 0.0 111.649 -173.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -86.68 36.3 0.7 Allowed 'General case' 0 C--N 1.35 0.603 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -165.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.01 38.8 0.02 OUTLIER 'General case' 0 C--N 1.343 0.317 0 C-N-CA 128.369 2.668 . . . . 0.0 115.248 167.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -91.85 173.76 7.69 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 119.916 -1.74 . . . . 0.0 114.125 -159.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 16.4 p30 . . . . . 0 N--CA 1.435 -1.209 0 C-N-CA 125.808 1.643 . . . . 0.0 109.745 174.683 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 . . . . . 0 N--CA 1.435 -1.176 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -135.7 152.0 50.73 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.311 -1.493 . . . . 0.0 110.174 168.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -49.29 -25.64 2.51 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.34 -24.07 34.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.858 1.263 . . . . 0.0 111.88 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.28 -51.74 68.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.408 -1.433 . . . . 0.0 112.325 168.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -55.79 -47.17 77.56 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.441 -1.412 . . . . 0.0 111.728 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -54.04 -52.53 35.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 125.342 1.457 . . . . 0.0 111.848 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -53.62 -47.51 70.2 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.41 1.884 . . . . 0.0 114.371 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.26 -57.42 12.3 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.103 1.361 . . . . 0.0 113.695 170.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -49.91 -49.34 21.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 126.467 1.907 . . . . 0.0 114.405 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.266 10.8 pt -64.0 -38.53 82.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -67.04 -54.66 19.46 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.083 0.953 . . . . 0.0 112.309 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.1 -27.43 29.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 O-C-N 120.208 -1.557 . . . . 0.0 112.501 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.7 -19.8 60.11 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.792 -1.192 . . . . 0.0 113.525 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -72.9 -47.39 46.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 124.276 1.989 . . . . 0.0 106.965 -168.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.9 mt -31.62 -59.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 130.934 3.694 . . . . 0.0 114.952 158.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.4 mt -50.34 -50.01 52.3 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.245 1.022 . . . . 0.0 112.623 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.1 -56.24 18.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 111.972 -2.376 . . . . 0.0 111.15 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.83 -34.67 71.92 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 118.283 -2.761 . . . . 0.0 112.1 -167.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.12 -59.97 2.24 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 125.458 1.503 . . . . 0.0 112.994 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.8 p -105.3 -8.1 18.48 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.524 -1.36 . . . . 0.0 114.104 -172.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.449 15.4 mtp85 71.55 -124.91 0.07 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.032 1.333 . . . . 0.0 113.3 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -109.5 1.18 19.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 119.779 -1.826 . . . . 0.0 114.148 -163.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.12 -44.86 52.26 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.3 mt -77.66 -48.53 23.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 O-C-N 120.505 -1.372 . . . . 0.0 109.836 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -39.91 -46.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.568 0 C-N-CA 129.42 3.088 . . . . 0.0 115.513 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -47.3 -34.77 7.1 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 175.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -93.57 115.07 27.55 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -167.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.06 68.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 O-C-N 121.054 -1.028 . . . . 0.0 113.749 -167.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -50.68 11.01 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 120.451 -1.406 . . . . 0.0 112.315 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -35.01 78.49 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.475 1.51 . . . . 0.0 112.31 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.11 -58.0 10.41 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 mt -70.06 -37.68 72.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 119.986 -1.696 . . . . 0.0 110.295 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.97 -21.54 12.16 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 127.189 2.196 . . . . 0.0 116.637 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -26.16 56.92 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.512 -0.742 . . . . 0.0 110.676 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' C ' ' H ' ' A' ' 39' ' ' GLU . 6.2 mp -78.26 -44.49 25.38 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.525 -1.36 . . . . 0.0 109.871 175.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -72.2 7.23 1.79 Allowed 'General case' 0 C--N 1.347 0.496 0 O-C-N 119.516 -1.99 . . . . 0.0 113.984 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 37' ' ' LEU . 0.8 OUTLIER -87.0 -50.9 6.34 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 123.023 1.392 . . . . 0.0 110.01 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.52 -4.58 10.04 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.352 1.061 . . . . 0.0 110.731 -175.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.68 53.11 1.86 Allowed Glycine 0 C--N 1.35 1.351 0 N-CA-C 117.427 1.731 . . . . 0.0 117.427 169.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.86 110.71 22.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 CA-C-N 119.67 1.735 . . . . 0.0 108.559 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -124.26 -179.81 4.6 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.321 -1.487 . . . . 0.0 108.693 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -163.48 130.99 3.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.925 -1.11 . . . . 0.0 108.74 164.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.453 44.2 mt-10 74.94 7.85 4.21 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 122.065 2.211 . . . . 0.0 113.595 175.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.19 -11.62 37.04 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 126.185 1.85 . . . . 0.0 114.121 170.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -96.0 142.89 27.67 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.913 -1.345 . . . . 0.0 111.558 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -72.0 125.5 27.39 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 161.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.52 82.58 0.1 Allowed 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -86.71 -163.86 0.97 Allowed 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.387 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.44 -30.3 67.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.226 -1.546 . . . . 0.0 113.129 -167.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -51.99 -61.45 2.25 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.237 1.415 . . . . 0.0 113.403 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -45.64 89.86 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -56.91 11.54 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -77.76 -33.71 52.67 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.983 -1.073 . . . . 0.0 111.113 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HZ1' ' CD ' ' A' ' 60' ' ' GLU . 61.8 tttp -51.87 -52.58 48.6 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 176.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.9 pt -67.12 -37.36 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.649 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -172.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.28 -34.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 C-N-CA 128.885 2.874 . . . . 0.0 112.942 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -76.84 -43.03 37.85 Favored 'General case' 0 C--N 1.344 0.332 0 O-C-N 119.171 -2.206 . . . . 0.0 113.919 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' CD ' ' HZ1' ' A' ' 56' ' ' LYS . 56.3 mt-10 -90.14 15.9 9.43 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 123.989 3.086 . . . . 0.0 110.684 176.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -69.31 144.52 53.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.111 1.365 . . . . 0.0 111.469 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.43 167.93 18.87 Favored 'General case' 0 C--O 1.222 -0.369 0 O-C-N 120.582 -1.324 . . . . 0.0 109.569 -173.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -50.25 72.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 119.75 -1.844 . . . . 0.0 114.202 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.14 -45.59 73.19 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.573 -1.329 . . . . 0.0 114.332 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -33.23 -64.69 0.19 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 128.757 2.823 . . . . 0.0 116.011 166.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.265 4.9 ptmm? -67.53 -44.56 78.03 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.018 -1.051 . . . . 0.0 113.589 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -63.63 -39.2 93.75 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 122.786 0.435 . . . . 0.0 110.668 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -49.92 -49.16 50.89 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.811 1.245 . . . . 0.0 114.235 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.3 mt -74.22 -39.72 62.91 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.73 -1.856 . . . . 0.0 112.467 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -48.66 -46.85 15.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 126.134 1.774 . . . . 0.0 112.225 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.21 -50.99 42.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.978 1.311 . . . . 0.0 114.306 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -74.65 -49.93 19.57 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -129.26 78.89 1.88 Allowed 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.67 1.188 . . . . 0.0 109.3 -170.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -33.78 71.25 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.368 -1.458 . . . . 0.0 112.312 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.35 -30.48 62.03 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.367 -1.458 . . . . 0.0 110.827 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -62.0 3.65 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.791 0.71 . . . . 0.0 112.404 173.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -74.82 -62.72 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 120.76 -1.435 . . . . 0.0 113.36 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.02 -39.79 83.05 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.571 -1.331 . . . . 0.0 111.149 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.27 -48.06 54.52 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.102 1.334 . . . . 0.0 114.305 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.2 t -81.44 -53.52 12.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.248 -1.736 . . . . 0.0 114.371 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.283 0.1 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.367 1.33 0 O-C-N 118.597 -2.565 . . . . 0.0 115.765 -161.175 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -77.92 -31.4 51.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 119.998 -1.689 . . . . 0.0 111.03 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -68.53 -35.95 78.16 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 111.979 167.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.0 -53.82 47.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.057 1.743 . . . . 0.0 113.27 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.85 -26.47 59.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.89 -1.131 . . . . 0.0 113.412 176.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 66.1 ttp -67.2 -53.32 31.37 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.15 -1.594 . . . . 0.0 112.494 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -75.24 -54.95 6.23 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.139 -0.976 . . . . 0.0 111.286 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -80.11 91.42 5.52 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 124.0 1.857 . . . . 0.0 108.72 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -106.84 154.02 21.63 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 119.883 -1.761 . . . . 0.0 106.802 -168.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-N 121.917 2.144 . . . . 0.0 111.695 172.084 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.01 -43.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 127.881 2.473 . . . . 0.0 112.281 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.89 -51.56 68.6 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.0 -36.5 48.77 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.537 -1.352 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 133.44 -25.35 3.63 Favored Glycine 0 CA--C 1.492 -1.38 0 O-C-N 121.656 -0.653 . . . . 0.0 112.782 164.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.49 128.35 35.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 123.377 1.56 . . . . 0.0 113.722 -173.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.6 t -77.26 166.76 22.77 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-O 122.525 1.155 . . . . 0.0 111.469 -175.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.71 -33.54 66.57 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.318 -1.489 . . . . 0.0 113.387 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -66.67 -35.62 80.59 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.833 2.053 . . . . 0.0 112.01 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.1 -42.52 66.01 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.52 1.528 . . . . 0.0 109.809 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.29 73.96 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.982 -1.074 . . . . 0.0 112.895 173.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -52.68 -60.67 2.96 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.389 1.476 . . . . 0.0 113.9 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.26 -25.26 36.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 120.112 -1.617 . . . . 0.0 114.474 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.2 -45.12 81.86 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 124.168 0.987 . . . . 0.0 110.564 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.5 -31.56 68.7 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 167.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 98.2 mmm -68.88 -64.47 0.86 Allowed 'General case' 0 C--N 1.353 0.725 0 O-C-N 117.686 -3.134 . . . . 0.0 114.03 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -95.58 -33.51 12.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -165.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -90.62 -24.14 20.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.894 -1.129 . . . . 0.0 112.727 -167.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 96.06 12.22 52.82 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 121.438 -0.789 . . . . 0.0 114.836 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.4 114.57 47.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 118.822 1.311 . . . . 0.0 108.27 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -84.6 102.5 12.96 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.812 -1.18 . . . . 0.0 110.488 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 40.5 mtt -97.92 61.51 1.54 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 119.232 -2.168 . . . . 0.0 109.406 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -122.49 -45.48 2.19 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 121.122 -0.987 . . . . 0.0 110.735 -173.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 18.5 p -77.25 165.97 23.8 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.986 1.314 . . . . 0.0 110.169 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -45.96 135.59 7.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 129.089 2.956 . . . . 0.0 116.868 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -133.45 160.04 38.57 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 122.521 1.153 . . . . 0.0 110.561 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -134.65 153.51 51.95 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 107.685 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.58 -38.12 52.95 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -170.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -73.18 -37.58 66.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.343 -1.473 . . . . 0.0 111.502 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -68.41 -41.79 79.93 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 127.464 2.305 . . . . 0.0 113.392 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.79 -50.18 24.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 C-N-CA 125.339 1.456 . . . . 0.0 112.264 164.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.92 -41.01 97.62 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 123.921 0.772 . . . . 0.0 113.414 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -73.3 -33.23 65.07 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 122.73 1.252 . . . . 0.0 109.524 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -76.89 -12.0 59.9 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.592 -1.317 . . . . 0.0 113.139 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -74.98 -60.08 2.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.954 1.702 . . . . 0.0 109.519 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -31.37 -68.91 0.08 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 128.172 2.589 . . . . 0.0 115.86 153.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 71.8 t -48.99 -60.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 125.418 1.487 . . . . 0.0 113.706 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -17.61 64.97 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -66.66 -39.07 88.03 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 119.927 -1.733 . . . . 0.0 109.161 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -61.09 -48.23 82.67 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.942 167.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.87 -38.97 73.49 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 120.899 1.681 . . . . 0.0 111.979 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.49 -43.07 86.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.31 -1.494 . . . . 0.0 112.438 171.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -71.94 -17.56 62.07 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 123.636 2.925 . . . . 0.0 110.676 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -76.53 -32.01 57.99 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.707 -1.246 . . . . 0.0 112.584 169.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.04 -49.92 81.56 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.882 1.673 . . . . 0.0 111.948 162.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -51.93 -55.45 20.18 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.43 -51.12 15.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.588 1.955 . . . . 0.0 114.838 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.73 -24.09 56.13 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.011 -1.68 . . . . 0.0 112.168 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -80.32 -36.09 34.74 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.11 0.964 . . . . 0.0 110.802 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.11 -1.05 18.52 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 170.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.13 -43.13 6.43 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.567 . . . . 0.0 109.679 171.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -66.03 -35.98 82.02 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.62 -1.3 . . . . 0.0 112.776 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.59 150.31 41.51 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.038 1.399 . . . . 0.0 108.135 165.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.35 -26.09 0.1 Allowed 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 121.103 -0.998 . . . . 0.0 111.598 -148.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -88.0 119.63 70.49 Favored Pre-proline 0 C--N 1.352 0.69 0 O-C-N 120.215 -1.553 . . . . 0.0 107.979 156.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -65.89 158.68 52.69 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 CA-C-N 122.786 2.031 . . . . 0.0 116.022 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 64.6 p -109.38 -99.5 0.39 Allowed 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.741 1.216 . . . . 0.0 110.716 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -78.87 116.14 19.01 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.64 1.176 . . . . 0.0 108.078 163.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 55.5 p -78.93 -25.26 43.67 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 120.894 -1.129 . . . . 0.0 112.39 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -68.08 170.09 9.04 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 122.863 1.316 . . . . 0.0 114.233 -174.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 10.5 t -87.19 78.16 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 O-C-N 120.282 -1.511 . . . . 0.0 110.486 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 37.7 tp -96.05 90.01 5.4 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 120.602 -1.311 . . . . 0.0 107.877 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -175.02 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.148 0.979 . . . . 0.0 109.138 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 15.0 m -80.26 -19.24 47.25 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -159.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -70.31 -25.15 63.18 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.733 2.061 . . . . 0.0 112.946 -167.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.26 100.34 9.84 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.111 1.364 . . . . 0.0 110.303 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 67.02 73.2 0.35 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 127.045 2.138 . . . . 0.0 115.912 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 CA--C 1.551 1.016 0 O-C-N 120.702 -1.249 . . . . 0.0 108.246 175.337 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 122.72 1.247 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -114.65 138.41 50.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 122.066 0.936 . . . . 0.0 110.98 175.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -93.22 -21.78 19.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.871 -1.143 . . . . 0.0 110.137 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 tp -65.18 -21.57 29.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.85 -48.41 76.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 120.067 -1.646 . . . . 0.0 113.421 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 m -68.91 -41.81 77.68 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.838 -1.163 . . . . 0.0 110.74 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.265 10.7 t -57.11 -43.88 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 120.67 -1.268 . . . . 0.0 113.254 173.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -51.79 -46.7 64.29 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 118.963 -2.335 . . . . 0.0 115.11 166.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.67 -56.16 23.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.722 1.609 . . . . 0.0 112.487 170.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.57 -51.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 127.926 2.49 . . . . 0.0 114.269 168.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.22 -46.41 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 C-N-CA 124.252 1.021 . . . . 0.0 110.775 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 m -59.16 -46.7 87.69 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.355 -0.84 . . . . 0.0 113.068 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -78.51 -27.66 14.26 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 O-C-N 120.252 -1.53 . . . . 0.0 114.041 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -20.68 60.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.0 -2.313 . . . . 0.0 111.743 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -72.26 -52.74 14.96 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 123.785 1.755 . . . . 0.0 108.22 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -26.74 -60.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 130.947 3.699 . . . . 0.0 115.371 159.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.42 -36.54 69.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.54 1.136 . . . . 0.0 113.442 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -74.81 -55.63 11.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 125.504 1.522 . . . . 0.0 110.136 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -63.58 -34.62 78.21 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.397 -2.065 . . . . 0.0 112.075 -166.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -79.74 -58.32 3.24 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 126.258 1.823 . . . . 0.0 112.08 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -116.32 -1.54 12.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 120.426 -1.421 . . . . 0.0 113.318 -164.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 52.85 -106.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.157 1.783 . . . . 0.0 113.317 -171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.69 4.99 38.74 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.393 -1.442 . . . . 0.0 112.909 -171.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.99 -44.59 72.55 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 118.375 -2.703 . . . . 0.0 115.998 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -30.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 120.103 -1.623 . . . . 0.0 110.799 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -43.89 -53.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 164.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.71 -27.38 58.96 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -162.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -101.26 123.37 45.27 Favored 'General case' 0 N--CA 1.439 -0.986 0 O-C-N 119.195 -2.191 . . . . 0.0 105.364 -171.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -60.12 -23.94 64.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.8 -53.59 12.85 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.707 -1.246 . . . . 0.0 110.429 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.91 -38.62 73.08 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.958 1.703 . . . . 0.0 115.088 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.5 -70.28 0.21 Allowed 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.213 -1.554 . . . . 0.0 113.415 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.3 mt -26.36 -54.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.191 2.596 . . . . 0.0 114.445 148.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.67 -30.94 67.74 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 117.167 -3.458 . . . . 0.0 117.145 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.31 -35.96 68.76 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.889 1.276 . . . . 0.0 111.368 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.9 -37.19 75.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.917 -1.114 . . . . 0.0 111.39 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -77.14 -29.74 54.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 119.662 -1.899 . . . . 0.0 112.523 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.46 -58.73 1.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.194 2.197 . . . . 0.0 114.978 165.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.97 -7.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 120.445 -1.409 . . . . 0.0 112.487 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.2 62.47 2.19 Favored Glycine 0 CA--C 1.49 -1.474 0 O-C-N 120.768 -1.208 . . . . 0.0 114.989 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -100.66 127.64 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 166.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.0 p -124.6 172.31 9.34 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.722 -1.236 . . . . 0.0 111.078 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -142.47 146.49 34.83 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 45.89 32.95 1.43 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 123.588 1.661 . . . . 0.0 114.565 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.56 -1.47 85.69 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 126.276 1.893 . . . . 0.0 115.706 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.1 151.41 34.36 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 120.95 -1.324 . . . . 0.0 110.627 -166.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -78.36 135.08 37.39 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.887 -1.133 . . . . 0.0 108.653 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.82 82.54 8.08 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.146 -1.596 . . . . 0.0 114.665 -167.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.58 179.98 1.22 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.294 159.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -51.31 -42.79 61.43 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 125.295 1.438 . . . . 0.0 113.985 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.527 2.731 . . . . 0.0 112.657 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -66.84 -36.97 83.56 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.496 1.118 . . . . 0.0 112.247 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.74 -54.12 50.63 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.116 1.366 . . . . 0.0 113.195 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -70.09 -32.01 69.87 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.126 -1.609 . . . . 0.0 111.591 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -78.19 -38.99 42.09 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tt -63.79 -42.57 96.35 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 120.616 -1.303 . . . . 0.0 112.097 175.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.55 -56.09 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 125.672 1.589 . . . . 0.0 113.857 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -76.49 -25.36 54.19 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 118.48 -2.638 . . . . 0.0 110.609 -164.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -94.88 20.66 8.51 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.657 1.183 . . . . 0.0 113.544 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.87 160.82 25.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.059 -1.651 . . . . 0.0 114.121 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -77.8 129.22 35.18 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.705 -1.247 . . . . 0.0 109.256 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -34.82 -48.07 0.37 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.88 -31.9 71.17 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -94.78 -20.19 19.7 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 120.064 1.302 . . . . 0.0 113.546 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -48.8 -42.95 37.64 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.881 -1.762 . . . . 0.0 113.604 150.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -78.35 -28.13 47.14 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.695 -0.628 . . . . 0.0 111.939 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.8 m -54.19 -42.21 69.44 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.806 -1.809 . . . . 0.0 113.357 167.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.05 -55.63 13.54 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 119.866 -1.771 . . . . 0.0 113.298 169.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.8 mt -42.53 -56.87 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 125.359 1.464 . . . . 0.0 113.569 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.55 -37.28 83.2 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.362 1.465 . . . . 0.0 113.891 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -83.32 -67.33 0.8 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.33 0.652 . . . . 0.0 110.414 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -87.62 77.94 8.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.2 1.4 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -61.25 -44.2 97.63 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.427 -1.421 . . . . 0.0 113.71 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -78.74 -41.94 29.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.192 0.996 . . . . 0.0 109.969 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.79 -45.78 95.01 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 125.7 1.619 . . . . 0.0 114.131 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -75.45 -51.94 11.86 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.253 -1.733 . . . . 0.0 111.791 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -54.1 -40.3 67.16 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.496 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.2 -64.91 3.02 Favored Glycine 0 C--N 1.35 1.313 0 C-N-CA 124.927 1.251 . . . . 0.0 114.564 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t -70.13 -47.62 66.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 120.42 2.11 . . . . 0.0 114.585 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -36.87 -57.97 0.78 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 126.818 2.047 . . . . 0.0 115.234 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -57.46 -41.63 80.97 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.295 34.6 p90 -85.28 -32.89 22.3 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.35 -1.469 . . . . 0.0 113.453 -175.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 mt -72.34 -30.11 64.44 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.085 -1.634 . . . . 0.0 112.759 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.61 -32.5 60.31 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.188 -1.57 . . . . 0.0 111.168 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.0 ttp -66.13 -65.33 0.69 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.152 1.381 . . . . 0.0 114.057 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.74 -4.32 50.62 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -168.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.3 m -84.1 120.83 26.63 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 119.08 -2.262 . . . . 0.0 111.35 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.55 136.81 54.3 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 126.611 1.964 . . . . 0.0 112.884 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt . . . . . 0 N--CA 1.447 -0.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.046 -172.08 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.532 0.682 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 67.5 t -51.3 -50.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.411 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.69 -49.31 68.31 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.81 50.56 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.663 -1.273 . . . . 0.0 111.835 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.68 -19.68 2.95 Favored Glycine 0 C--N 1.348 1.245 0 O-C-N 121.252 -0.905 . . . . 0.0 114.261 162.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.31 115.67 23.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 124.544 2.116 . . . . 0.0 115.063 -170.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -64.13 146.92 53.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.469 171.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.48 -34.48 0.35 Allowed 'General case' 0 C--N 1.349 0.586 0 N-CA-C 116.458 2.022 . . . . 0.0 116.458 171.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -76.44 -23.83 53.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.901 1.334 . . . . 0.0 112.672 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.62 -38.27 26.28 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.168 2.187 . . . . 0.0 109.531 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.37 71.89 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.828 -1.17 . . . . 0.0 112.146 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -48.58 -60.74 2.46 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.63 -38.38 42.48 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 C-N-CA 127.816 2.446 . . . . 0.0 114.62 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.26 -45.04 96.16 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.605 1.162 . . . . 0.0 110.948 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -52.37 64.6 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 161.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.46 -63.35 1.33 Allowed 'General case' 0 C--N 1.347 0.482 0 CA-C-N 122.305 2.32 . . . . 0.0 116.264 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -98.47 -38.11 9.32 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.275 1.43 . . . . 0.0 113.555 -167.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -82.89 -23.03 33.77 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.785 -1.197 . . . . 0.0 110.528 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 71.67 34.54 62.84 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 125.053 1.311 . . . . 0.0 115.56 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 35.8 mt -99.24 129.17 50.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 120.624 -1.515 . . . . 0.0 109.947 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.17 108.72 14.0 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.812 -1.18 . . . . 0.0 112.415 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 12.9 ptp -132.3 41.1 3.25 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.669 1.223 . . . . 0.0 108.615 165.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.39 37.6 3.5 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.142 1.377 . . . . 0.0 110.791 -168.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 t -137.78 -164.8 1.67 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.818 2.047 . . . . 0.0 107.893 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -64.74 111.05 2.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.007 1.723 . . . . 0.0 113.581 155.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.62 116.81 31.98 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 76.6 m -81.8 148.83 28.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.066 -1.646 . . . . 0.0 107.964 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.68 -20.82 15.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -66.38 -36.08 81.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.651 1.18 . . . . 0.0 113.41 168.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.1 -41.09 74.49 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.624 1.57 . . . . 0.0 112.609 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.02 -42.74 83.51 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.602 1.191 . . . . 0.0 111.35 170.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.49 -54.12 38.48 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 124.504 1.049 . . . . 0.0 113.586 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -30.26 70.73 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 122.868 1.318 . . . . 0.0 111.003 -172.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.32 0.81 47.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.526 1.13 . . . . 0.0 113.041 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -59.08 2.91 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 119.168 -2.207 . . . . 0.0 109.969 160.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -40.91 -59.7 1.37 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 158.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.256 91.7 t -65.18 -57.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 O-C-N 120.025 -1.672 . . . . 0.0 113.171 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 17.9 m -54.63 -35.98 64.03 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -66.46 -39.36 88.79 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 119.047 -2.283 . . . . 0.0 111.697 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.73 -51.03 71.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 120.679 -1.263 . . . . 0.0 113.076 167.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -53.64 -40.09 65.53 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.44 -1.412 . . . . 0.0 112.807 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 O-C-N 120.3 -1.5 . . . . 0.0 112.439 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -74.8 -13.77 60.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 124.638 3.381 . . . . 0.0 111.356 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -70.1 -48.88 55.82 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.731 -1.856 . . . . 0.0 112.145 165.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 54.1 mt -47.97 -50.75 9.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.786 1.634 . . . . 0.0 113.89 163.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -53.4 -60.71 2.95 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.513 1.925 . . . . 0.0 113.488 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.07 -47.87 3.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.825 2.05 . . . . 0.0 115.828 167.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -67.66 -46.7 71.63 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 112.081 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.97 73.33 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.13 1.372 . . . . 0.0 114.121 175.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.33 -19.88 65.52 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.566 -1.334 . . . . 0.0 113.553 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.0 -29.78 19.24 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 120.171 -1.58 . . . . 0.0 108.176 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.71 -21.0 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 165.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.04 101.66 13.13 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 119.654 -1.904 . . . . 0.0 112.813 168.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -50.27 13.13 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 120.284 3.438 . . . . 0.0 120.284 156.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -81.83 145.76 54.58 Favored Pre-proline 0 C--N 1.344 0.346 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.725 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.66 167.48 27.02 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.459 2.106 . . . . 0.0 112.947 -170.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 49.2 m -91.9 164.57 13.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 123.156 1.455 . . . . 0.0 111.288 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.52 155.37 31.67 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 120.542 -1.349 . . . . 0.0 110.116 177.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 65.9 m -65.01 -27.55 68.9 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.11 -1.619 . . . . 0.0 114.1 -167.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.14 -8.48 7.97 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 127.824 2.45 . . . . 0.0 116.233 -176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.7 67.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-O 124.463 2.077 . . . . 0.0 113.176 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 42.2 mt -83.87 121.11 26.9 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 119.596 -1.94 . . . . 0.0 110.624 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -135.71 -63.11 0.67 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 6.4 m -85.22 7.89 20.38 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 120.768 -1.208 . . . . 0.0 114.007 -167.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -93.06 -32.89 14.31 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 123.299 1.523 . . . . 0.0 110.564 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.25 94.25 9.85 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.784 1.233 . . . . 0.0 108.842 -173.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -106.67 -87.87 0.47 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.48 1.133 . . . . 0.0 108.344 -172.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.436 -1.15 0 C-N-CA 128.339 2.656 . . . . 0.0 109.056 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 N--CA 1.442 -0.846 0 CA-C-O 121.901 0.858 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -169.63 155.43 5.99 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.96 1.304 . . . . 0.0 107.843 168.614 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.462 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 21.4 m120 -97.88 -34.01 11.01 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.903 0.881 . . . . 0.0 110.592 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.83 -33.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 -168.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.14 -42.99 91.99 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.382 -1.449 . . . . 0.0 112.839 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -77.78 -39.29 44.54 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.053 -1.029 . . . . 0.0 111.175 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.6 -57.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 O-C-N 121.175 -0.953 . . . . 0.0 112.763 166.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -50.23 -46.71 54.92 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.504 -1.372 . . . . 0.0 114.02 171.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -49.43 -62.22 1.66 Allowed 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.654 1.581 . . . . 0.0 113.501 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -43.1 -53.7 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.153 2.581 . . . . 0.0 115.655 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -55.04 -53.02 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.768 1.227 . . . . 0.0 111.631 172.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -65.67 -42.98 90.69 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.411 -1.43 . . . . 0.0 113.207 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.54 -28.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 O-C-N 119.586 -1.946 . . . . 0.0 113.985 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -16.72 62.98 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 119.039 -2.288 . . . . 0.0 112.825 165.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -71.7 -41.95 67.97 Favored 'General case' 0 C--N 1.366 1.29 0 O-C-N 120.662 -1.274 . . . . 0.0 108.764 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -37.11 -61.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.431 0 C-N-CA 129.323 3.049 . . . . 0.0 113.912 163.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -51.21 -49.6 60.72 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 126.723 2.009 . . . . 0.0 112.111 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -59.42 -48.89 85.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 128.649 2.78 . . . . 0.0 113.491 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -78.59 -45.57 21.38 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 118.674 -2.516 . . . . 0.0 111.096 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -73.54 -54.56 7.93 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.368 1.467 . . . . 0.0 113.795 -173.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -105.85 -9.85 16.97 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.357 -0.839 . . . . 0.0 112.763 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.406 42.2 mtt180 62.46 -130.71 0.57 Allowed 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.967 0.907 . . . . 0.0 113.241 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -97.53 5.57 49.39 Favored 'General case' 0 CA--C 1.515 -0.387 0 O-C-N 119.787 -1.821 . . . . 0.0 111.601 -163.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.13 -68.39 0.3 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 129.696 3.199 . . . . 0.0 113.007 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.2 pt -84.62 -28.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 119.681 -1.887 . . . . 0.0 110.728 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.5 t -46.77 -38.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 127.651 2.38 . . . . 0.0 115.442 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -51.68 -48.78 63.33 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.142 1.448 . . . . 0.0 112.2 172.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -79.96 100.3 8.03 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.24 -145.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -59.68 -25.49 64.8 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -167.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.01 -55.51 4.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.981 -1.075 . . . . 0.0 110.989 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 -44.46 97.03 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.732 2.013 . . . . 0.0 111.93 -173.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.83 -44.17 81.78 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.404 -1.435 . . . . 0.0 114.665 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -83.58 -27.16 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 119.141 -2.224 . . . . 0.0 110.007 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.99 -29.82 70.95 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.106 -2.246 . . . . 0.0 112.941 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -42.31 99.67 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 125.638 1.575 . . . . 0.0 112.094 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.61 -38.9 89.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.019 1.728 . . . . 0.0 112.531 173.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -79.31 -33.33 43.34 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.432 -1.417 . . . . 0.0 113.6 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -57.4 2.02 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.549 2.339 . . . . 0.0 116.07 164.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.7 pt -84.2 -15.74 11.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 O-C-N 121.382 -0.824 . . . . 0.0 110.731 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.92 56.1 1.78 Allowed Glycine 0 CA--C 1.494 -1.226 0 O-C-N 121.191 -0.943 . . . . 0.0 112.61 165.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -84.9 130.25 36.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 CA-C-O 123.461 1.601 . . . . 0.0 108.509 170.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -127.72 150.86 49.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 129.748 3.219 . . . . 0.0 109.73 -163.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' CE1' ' HA ' ' A' ' 4' ' ' ASN . 55.8 t60 -147.4 137.77 23.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 119.78 -1.825 . . . . 0.0 108.769 163.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 54.84 35.03 23.32 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 120.298 -1.501 . . . . 0.0 113.529 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.61 -7.45 54.01 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.595 1.569 . . . . 0.0 113.614 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -96.83 157.38 15.93 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.892 1.277 . . . . 0.0 110.837 -174.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -94.66 129.47 41.53 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.262 0.5 OUTLIER -94.6 99.54 11.66 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 123.31 1.529 . . . . 0.0 114.258 -170.555 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.03 -173.22 3.46 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.245 -1.534 . . . . 0.0 111.193 166.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -45.18 -52.64 9.12 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 118.284 2.698 . . . . 0.0 118.284 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.23 -55.04 39.9 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.207 1.803 . . . . 0.0 113.719 174.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.585 -1.322 . . . . 0.0 113.136 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.582 1.553 . . . . 0.0 111.42 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.49 -37.71 68.36 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.76 -1.212 . . . . 0.0 111.007 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.86 -40.98 88.06 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 126.134 1.773 . . . . 0.0 114.222 -174.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 tt -70.69 -24.75 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 119.419 -2.051 . . . . 0.0 113.193 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.42 -40.55 13.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 127.311 2.244 . . . . 0.0 112.248 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.0 p -58.14 -45.51 87.26 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 165.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -90.53 77.12 6.51 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 121.113 1.778 . . . . 0.0 110.504 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mt -113.54 131.17 56.18 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.892 1.277 . . . . 0.0 112.621 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.2 m -64.9 127.93 33.65 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.34 1.456 . . . . 0.0 111.239 174.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.25 -54.48 13.46 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -174.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.73 -34.06 75.14 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -89.38 -30.68 18.2 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.55 -1.344 . . . . 0.0 111.351 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -40.63 82.4 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 118.883 -2.386 . . . . 0.0 113.257 165.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -68.84 -42.95 76.44 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.102 0.961 . . . . 0.0 111.677 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.8 m -43.71 -49.58 7.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.813 2.045 . . . . 0.0 114.632 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.13 -45.62 84.31 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 120.731 -1.231 . . . . 0.0 112.495 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.04 -59.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 169.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.17 -23.41 66.58 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -68.1 -80.37 0.04 OUTLIER 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.028 1.74 . . . . 0.0 111.803 170.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -124.83 104.81 8.82 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.018 -1.051 . . . . 0.0 108.512 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.99 -47.43 85.21 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -168.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.2 -44.96 33.31 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.48 -65.1 3.79 Favored Glycine 0 C--N 1.358 1.753 0 C-N-CA 125.642 1.591 . . . . 0.0 113.145 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.64 99.87 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.991 -1.299 . . . . 0.0 112.794 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.1 -40.47 64.16 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.43 30.71 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 120.976 -1.078 . . . . 0.0 113.548 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.08 -49.77 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 121.668 -0.901 . . . . 0.0 112.52 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -37.09 -61.02 0.59 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.314 1.846 . . . . 0.0 115.181 163.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -65.14 -50.62 65.31 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -70.7 -24.35 62.64 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.116 -1.615 . . . . 0.0 112.873 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.41 -48.77 76.45 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.495 1.518 . . . . 0.0 111.911 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.1 -46.02 65.71 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.352 -0.843 . . . . 0.0 113.058 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.9 ttp -70.19 -50.05 44.11 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -172.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -93.24 -58.78 2.2 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.755 -1.216 . . . . 0.0 112.805 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 2.4 t -88.75 91.31 8.77 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 124.438 2.066 . . . . 0.0 113.269 -169.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -77.32 151.62 34.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 119.832 -1.792 . . . . 0.0 111.506 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--N 1.362 1.136 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 172.011 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 56.8 t -66.1 -34.96 73.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.205 -1.559 . . . . 0.0 111.876 167.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.1 -72.95 0.16 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.505 -1.997 . . . . 0.0 111.015 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -14.76 -73.32 0.01 OUTLIER 'General case' 0 C--N 1.355 0.82 1 N-CA-C 122.019 4.081 . . . . 0.0 122.019 151.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 120.49 -38.64 2.66 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 124.025 0.822 . . . . 0.0 111.819 -169.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -82.35 128.61 34.39 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 124.037 1.875 . . . . 0.0 115.933 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.7 m -55.18 146.27 19.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 126.724 2.009 . . . . 0.0 113.196 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.59 58.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 118.102 -2.874 . . . . 0.0 114.035 169.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -56.96 -34.56 68.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 113.348 171.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -76.8 -34.51 57.93 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.121 1.768 . . . . 0.0 111.531 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.69 78.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.37 -1.456 . . . . 0.0 112.47 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -44.46 -60.51 1.92 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 165.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.75 -30.1 47.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 125.788 1.635 . . . . 0.0 114.671 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.2 -42.57 93.43 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.136 0.974 . . . . 0.0 110.84 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -62.0 -57.8 10.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 159.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 71.1 mtm -58.24 -61.97 2.18 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 123.519 2.872 . . . . 0.0 117.838 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -111.42 -10.14 14.21 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.87 -13.85 19.87 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.947 -1.096 . . . . 0.0 110.735 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.53 79.13 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 120.537 -1.352 . . . . 0.0 116.077 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 10.7 mt -97.66 123.54 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 118.815 1.308 . . . . 0.0 109.007 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.48 79.96 4.9 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 119.766 -1.834 . . . . 0.0 108.962 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 21.4 mtm -91.78 52.56 2.04 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 119.913 -1.742 . . . . 0.0 109.663 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -114.13 -34.25 5.42 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.473 -1.392 . . . . 0.0 112.674 -157.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 66.9 p -86.51 -161.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.193 0 O-C-N 120.913 -1.117 . . . . 0.0 109.597 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -59.17 120.06 8.5 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.892 1.677 . . . . 0.0 113.766 -174.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -122.41 95.51 4.67 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 171.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 162.14 27.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.979 1.312 . . . . 0.0 110.441 173.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 pp -58.98 -27.1 65.06 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.01 -2.307 . . . . 0.0 117.16 -171.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.59 -23.89 29.42 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 119.449 -2.032 . . . . 0.0 111.644 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -67.57 -31.82 72.16 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 119.831 -1.793 . . . . 0.0 111.201 168.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 23.3 t -57.96 -39.76 73.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 O-C-N 120.369 -1.457 . . . . 0.0 114.271 164.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.14 79.7 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 119.035 -2.291 . . . . 0.0 113.472 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.27 -39.92 92.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.119 2.168 . . . . 0.0 111.741 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.67 -35.11 73.79 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 119.715 -1.866 . . . . 0.0 112.788 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.32 -68.14 0.49 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.16 -0.963 . . . . 0.0 113.103 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -32.31 -59.84 0.29 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 160.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.63 -60.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.921 1.288 . . . . 0.0 113.048 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.6 m -45.33 -46.84 13.15 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 165.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -62.03 -47.38 85.02 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.233 -1.542 . . . . 0.0 110.345 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -55.68 -46.68 77.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 111.159 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -35.59 71.55 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.531 -1.355 . . . . 0.0 113.213 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.18 -39.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 119.791 -1.818 . . . . 0.0 113.028 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -75.04 -17.09 60.56 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 122.665 2.484 . . . . 0.0 108.766 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -72.83 -39.66 66.4 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.0 -2.313 . . . . 0.0 111.908 168.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 87.1 mt -54.2 -43.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 125.679 1.592 . . . . 0.0 113.124 170.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.31 -43.7 97.1 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.563 1.545 . . . . 0.0 112.565 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.34 62.68 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.461 1.504 . . . . 0.0 114.447 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -80.34 -54.76 5.42 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.565 -1.335 . . . . 0.0 108.372 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.07 -37.33 61.55 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.53 -1.08 25.55 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -98.76 -45.11 6.14 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 168.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -57.56 -38.97 75.66 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.422 -1.423 . . . . 0.0 114.214 171.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 15.4 tp -94.05 100.61 12.7 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 125.376 1.47 . . . . 0.0 110.417 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.77 -27.35 67.52 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -61.36 129.59 91.07 Favored Pre-proline 0 C--N 1.354 0.803 0 CA-C-N 119.837 1.199 . . . . 0.0 111.616 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.75 172.32 9.66 Favored 'Trans proline' 0 CA--C 1.515 -0.429 0 C-N-CA 121.943 1.762 . . . . 0.0 115.175 -174.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 88.1 p -75.72 154.05 36.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 122.944 1.354 . . . . 0.0 110.826 167.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -84.05 161.3 20.74 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.919 1.288 . . . . 0.0 109.122 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 5.1 t -98.38 14.31 28.49 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -151.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -53.99 157.81 2.35 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 127.066 2.146 . . . . 0.0 114.833 168.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.21 131.64 37.82 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 O-C-N 120.526 -1.359 . . . . 0.0 107.638 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.27 74.2 0.05 Allowed 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 116.821 2.156 . . . . 0.0 116.821 -164.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 80.1 mmt-85 -134.2 -85.53 0.42 Allowed 'General case' 0 C--N 1.353 0.741 0 O-C-N 118.883 -2.385 . . . . 0.0 112.494 -176.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 20.0 t -151.57 -96.46 0.06 Allowed 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.407 -1.433 . . . . 0.0 111.822 -176.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -91.08 71.42 6.33 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 123.162 1.458 . . . . 0.0 110.413 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.2 148.96 48.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.59 1.156 . . . . 0.0 109.607 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -136.55 138.01 40.84 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.718 1.207 . . . . 0.0 109.589 -174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 CA--C 1.564 1.482 0 O-C-N 120.037 -1.664 . . . . 0.0 109.889 166.162 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.4 m120 . . . . . 0 N--CA 1.437 -1.097 0 CA-C-O 122.269 1.033 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -87.05 173.22 9.42 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.853 -1.155 . . . . 0.0 113.084 177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.454 ' OD1' ' HE1' ' A' ' 44' ' ' HIS . 75.6 m-20 -82.06 -21.85 36.68 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.811 1.244 . . . . 0.0 109.948 171.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.48 -39.31 22.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 C-N-CA 126.66 1.984 . . . . 0.0 113.254 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.74 -55.86 1.42 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 127.777 2.431 . . . . 0.0 115.774 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 m -71.55 -45.12 63.2 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.427 -0.796 . . . . 0.0 111.294 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 t -54.22 -54.9 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.715 0.806 . . . . 0.0 112.128 175.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -50.47 -42.72 54.84 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 129.406 3.082 . . . . 0.0 114.927 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -55.15 -56.18 22.75 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.117 1.767 . . . . 0.0 111.745 169.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mm -52.51 -47.14 48.5 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 124.104 0.962 . . . . 0.0 113.375 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -58.49 -52.39 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.962 . . . . 0.0 111.07 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m -60.14 -45.34 93.38 Favored 'General case' 0 C--N 1.343 0.315 0 O-C-N 121.142 -0.974 . . . . 0.0 113.368 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.91 -22.17 11.02 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 O-C-N 120.594 -1.316 . . . . 0.0 112.701 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.94 58.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.463 -2.023 . . . . 0.0 112.488 168.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -73.39 -46.64 47.67 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.57 2.129 . . . . 0.0 107.745 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -32.89 -56.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 130.724 3.61 . . . . 0.0 115.159 156.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -48.95 -51.9 27.77 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 124.758 1.223 . . . . 0.0 113.22 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.07 -51.39 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 128.872 2.869 . . . . 0.0 109.763 -175.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -77.82 -40.93 38.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.291 -2.13 . . . . 0.0 110.107 -168.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.91 -62.91 1.43 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.036 0.935 . . . . 0.0 113.189 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 1.67 19.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 120.994 -1.066 . . . . 0.0 113.379 -172.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.332 64.5 mtt180 63.29 -119.69 0.54 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.665 1.186 . . . . 0.0 113.581 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -99.83 22.43 11.09 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 120.157 -1.589 . . . . 0.0 112.893 -172.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -59.65 -72.37 0.11 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.754 2.022 . . . . 0.0 113.263 173.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.47 -32.79 8.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.83 -1.168 . . . . 0.0 109.744 -172.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -44.02 -51.48 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 126.92 2.088 . . . . 0.0 113.695 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -47.0 -39.22 12.14 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -98.93 124.56 43.96 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.841 -1.162 . . . . 0.0 108.548 -157.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.42 -52.78 56.41 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -172.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.27 63.81 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.927 0.891 . . . . 0.0 113.205 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -56.1 -41.57 75.45 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.925 1.29 . . . . 0.0 112.133 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.56 -48.74 79.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.49 -1.381 . . . . 0.0 112.114 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -75.23 -36.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.363 1.165 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -169.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.72 -34.63 12.42 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 127.37 2.268 . . . . 0.0 115.631 171.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.23 -40.44 77.94 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.394 0.678 . . . . 0.0 111.359 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.87 -34.7 78.75 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.862 -1.149 . . . . 0.0 110.954 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.48 -59.47 3.96 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.555 -1.34 . . . . 0.0 111.792 171.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -35.63 -52.29 0.67 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 128.302 2.641 . . . . 0.0 118.077 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 0.2 OUTLIER -89.41 -15.62 8.79 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 119.562 -1.961 . . . . 0.0 113.875 177.398 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.03 55.39 2.52 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.254 -1.529 . . . . 0.0 113.955 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -92.92 144.12 10.03 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 167.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.9 p -145.44 169.91 17.4 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 120.047 -1.658 . . . . 0.0 110.487 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.454 ' HE1' ' OD1' ' A' ' 4' ' ' ASN . 75.5 t60 -138.12 136.52 36.8 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 168.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 57.42 23.01 8.52 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 124.014 1.864 . . . . 0.0 112.965 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.39 7.72 82.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 119.043 -2.286 . . . . 0.0 114.494 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -98.36 139.79 33.59 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.397 1.879 . . . . 0.0 109.771 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.97 148.34 36.36 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.927 -1.108 . . . . 0.0 108.813 173.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.88 87.26 5.34 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 119.721 -1.862 . . . . 0.0 115.875 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.81 170.89 12.67 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 147.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -59.02 -32.27 69.58 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -55.17 -53.89 50.29 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 125.755 1.622 . . . . 0.0 113.017 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -61.64 -51.13 69.75 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 121.584 -0.698 . . . . 0.0 111.738 171.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -55.4 -56.87 15.16 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.635 1.574 . . . . 0.0 114.192 -170.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -79.54 -26.49 41.44 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.804 -1.185 . . . . 0.0 111.432 -174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.0 -48.16 81.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.425 1.09 . . . . 0.0 112.461 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.8 pt -62.76 -33.44 60.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -72.43 -56.77 8.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 C-N-CA 127.535 2.334 . . . . 0.0 112.601 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.7 m -50.25 -63.73 1.03 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 127.088 2.155 . . . . 0.0 115.069 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -90.28 24.26 2.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 120.817 -1.177 . . . . 0.0 112.251 -163.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.3 151.41 47.12 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.868 -1.77 . . . . 0.0 111.009 158.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.78 171.07 15.0 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.797 1.639 . . . . 0.0 108.794 166.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -67.95 -47.91 67.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 119.96 -1.712 . . . . 0.0 115.145 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.1 -43.0 71.96 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.3 -1.5 . . . . 0.0 113.786 -173.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -35.05 -68.12 0.13 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.349 2.66 . . . . 0.0 116.912 156.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.31 75.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.219 -1.55 . . . . 0.0 114.149 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -74.01 -26.56 60.51 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 120.86 -1.15 . . . . 0.0 111.394 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -57.22 -41.21 79.07 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.023 -1.673 . . . . 0.0 112.624 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.98 -53.92 51.37 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.82 -1.175 . . . . 0.0 112.433 169.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -49.16 -54.87 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.596 1.558 . . . . 0.0 112.496 173.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.59 -36.43 66.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.252 -1.53 . . . . 0.0 114.51 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -79.8 -56.93 3.92 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 112.8 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -119.8 88.52 2.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -64.47 -64.18 0.94 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.017 -1.052 . . . . 0.0 110.055 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.65 -31.31 72.26 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.828 1.651 . . . . 0.0 111.857 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.13 -48.24 72.56 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 121.089 -1.007 . . . . 0.0 113.326 174.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.0 -47.95 55.89 Favored 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.699 -1.471 . . . . 0.0 111.354 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 125.103 1.361 . . . . 0.0 112.3 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.46 17.49 Favored Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.837 1.684 . . . . 0.0 115.279 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.84 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 120.08 1.94 . . . . 0.0 112.139 -168.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -15.73 -73.56 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 148.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -70.35 -44.65 67.72 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.084 -1.635 . . . . 0.0 113.501 -172.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.78 -47.03 82.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.438 1.017 . . . . 0.0 113.325 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -51.64 68.85 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.721 -1.237 . . . . 0.0 112.346 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.66 -9.78 58.91 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.947 -1.096 . . . . 0.0 113.209 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -81.07 -49.54 10.76 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.365 -1.46 . . . . 0.0 111.202 168.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.47 -54.89 16.34 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.746 1.218 . . . . 0.0 112.673 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.0 p -84.41 85.73 7.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.697 1.237 . . . . 0.0 111.56 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -70.54 151.88 44.58 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.232 -1.542 . . . . 0.0 111.859 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 C--N 1.357 0.912 0 O-C-N 120.193 -1.567 . . . . 0.0 112.576 -164.764 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.63 -46.7 72.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 C-N-CA 125.033 1.333 . . . . 0.0 113.592 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.38 -42.43 73.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.952 1.301 . . . . 0.0 114.008 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -83.44 -24.41 31.86 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.661 -1.274 . . . . 0.0 111.604 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 137.31 -30.54 2.61 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 120.321 -1.487 . . . . 0.0 113.795 162.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.85 138.61 32.45 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 121.11 -1.229 . . . . 0.0 113.843 -165.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 4.3 m -76.08 155.31 34.89 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 119.995 -1.691 . . . . 0.0 112.15 173.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -29.35 -47.02 0.06 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 158.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -73.56 -28.66 61.97 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.406 -2.059 . . . . 0.0 113.168 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.84 -34.66 51.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.31 2.244 . . . . 0.0 109.401 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.07 75.0 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.809 -1.182 . . . . 0.0 111.795 166.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.3 -37.89 86.46 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.057 -1.652 . . . . 0.0 110.67 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.06 -39.28 57.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 O-C-N 119.494 -2.004 . . . . 0.0 114.751 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.58 -47.06 77.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.308 1.443 . . . . 0.0 110.902 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -61.8 -42.94 99.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.042 1.737 . . . . 0.0 113.438 166.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 89.2 mtp -74.99 -66.85 0.71 Allowed 'General case' 0 CA--C 1.531 0.232 0 O-C-N 117.245 -3.41 . . . . 0.0 114.803 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -91.79 -41.3 10.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.831 -1.168 . . . . 0.0 111.947 -165.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -71.08 -24.95 62.42 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.488 -0.758 . . . . 0.0 111.222 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.18 29.32 56.74 Favored Glycine 0 C--N 1.346 1.106 0 O-C-N 121.143 -0.973 . . . . 0.0 115.483 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -101.91 126.75 55.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 118.966 1.383 . . . . 0.0 109.633 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -86.96 85.27 7.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.732 -1.23 . . . . 0.0 111.484 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -93.86 64.79 3.47 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.105 -1.622 . . . . 0.0 111.112 171.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -120.74 -20.24 7.08 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.411 -1.431 . . . . 0.0 112.705 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 55.0 p -97.14 -152.13 0.38 Allowed 'General case' 0 C--N 1.344 0.363 0 O-C-N 120.504 -1.373 . . . . 0.0 111.325 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.24 113.45 7.42 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.537 2.335 . . . . 0.0 112.011 -166.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -127.4 85.06 2.32 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.986 -1.071 . . . . 0.0 110.127 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.95 170.79 9.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.132 1.373 . . . . 0.0 111.915 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 41.2 tp -80.56 -23.51 39.88 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 119.028 -2.295 . . . . 0.0 111.644 -159.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.03 -41.97 73.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.283 -1.511 . . . . 0.0 111.317 164.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.42 -40.64 95.16 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 126.175 1.79 . . . . 0.0 113.857 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 88.2 t -55.77 -45.59 79.51 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 O-C-N 120.305 -1.497 . . . . 0.0 114.335 164.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.31 -36.94 93.77 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 120.151 -1.593 . . . . 0.0 112.747 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -77.82 -24.03 48.85 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.973 -1.31 . . . . 0.0 109.412 -172.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -76.29 -18.52 58.93 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.913 -1.742 . . . . 0.0 112.641 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -20.58 56.56 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.535 -1.978 . . . . 0.0 113.614 170.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -68.67 -72.41 0.18 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.428 1.091 . . . . 0.0 112.727 150.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.72 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 126.066 1.747 . . . . 0.0 113.686 -165.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 91.2 m -49.38 -32.52 11.65 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 167.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -69.36 -48.73 60.41 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 117.968 -2.957 . . . . 0.0 111.315 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -49.83 -43.61 48.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 125.909 1.683 . . . . 0.0 112.606 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -53.33 -43.94 68.04 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.103 1.361 . . . . 0.0 113.94 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.7 -43.42 87.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 120.623 -1.298 . . . . 0.0 111.152 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -19.68 61.14 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.74 -1.85 . . . . 0.0 109.893 -174.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -76.66 -37.5 56.13 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.445 1.498 . . . . 0.0 112.805 166.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.9 mt -57.74 -44.84 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 119.097 -2.252 . . . . 0.0 112.68 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.86 -55.08 29.92 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 130.178 3.391 . . . . 0.0 111.062 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -39.9 -40.89 1.08 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.98 17.6 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.392 -1.443 . . . . 0.0 112.104 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -55.48 -40.35 71.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 53.4 mt -64.47 -16.83 63.14 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 174.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -96.65 -33.95 11.57 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.282 1.433 . . . . 0.0 108.031 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 120.347 -1.47 . . . . 0.0 114.625 169.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.4 tt -91.82 100.2 12.93 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 123.097 1.427 . . . . 0.0 111.992 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -50.28 -66.83 0.32 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -83.18 148.93 57.48 Favored Pre-proline 0 C--N 1.346 0.427 0 O-C-N 120.216 -1.553 . . . . 0.0 113.734 -160.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -70.02 151.24 67.51 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 121.764 1.643 . . . . 0.0 114.984 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 84.1 p -166.92 -28.06 0.03 OUTLIER 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.44 1.496 . . . . 0.0 110.422 171.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -76.4 94.37 3.63 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 121.111 -0.993 . . . . 0.0 111.743 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 16.0 m -80.83 -24.54 38.37 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 123.685 0.794 . . . . 0.0 111.47 171.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.44 79.17 1.41 Allowed 'General case' 0 C--N 1.347 0.471 0 C-N-CA 125.52 1.528 . . . . 0.0 114.758 -171.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.08 121.91 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 167.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 92.5 mt -102.99 121.01 41.67 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.086 -2.259 . . . . 0.0 110.239 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -120.96 -53.03 2.07 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.674 -1.266 . . . . 0.0 112.696 -171.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 7.3 t -75.35 92.11 2.77 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -158.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 31.44 51.71 0.16 Allowed 'General case' 0 C--N 1.351 0.669 0 C-N-CA 129.293 3.037 . . . . 0.0 118.243 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.85 108.91 16.53 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 128.006 2.522 . . . . 0.0 112.382 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 14.8 t0 59.82 54.53 4.3 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.182 1.393 . . . . 0.0 114.046 167.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 6.5 p30 . . . . . 0 N--CA 1.44 -0.944 0 O-C-N 120.828 -1.17 . . . . 0.0 108.861 178.191 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.2 t30 . . . . . 0 N--CA 1.44 -0.949 0 CA-C-O 124.78 2.228 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -136.74 149.4 47.83 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 111.026 -2.806 . . . . 0.0 108.352 164.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -107.94 -52.03 2.82 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.992 -1.068 . . . . 0.0 108.57 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.9 tp -70.03 -12.09 15.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.553 -1.342 . . . . 0.0 112.775 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -86.48 1.22 52.26 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 118.668 -2.52 . . . . 0.0 112.346 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 m -103.91 -47.61 4.15 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.914 -2.624 . . . . 0.0 103.914 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.0 t -49.39 -51.12 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.711 1.604 . . . . 0.0 110.874 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.0 65.88 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.988 -1.695 . . . . 0.0 115.406 167.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.02 -64.35 0.86 Allowed 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.082 1.353 . . . . 0.0 113.08 171.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.5 mt -45.54 -47.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 126.986 2.114 . . . . 0.0 113.774 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -68.44 -37.78 78.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 O-C-N 121.626 -0.671 . . . . 0.0 110.735 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -58.25 -55.56 33.39 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.748 -1.22 . . . . 0.0 112.851 169.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.95 -43.42 97.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 123.095 1.426 . . . . 0.0 112.292 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -14.4 62.87 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.635 1.174 . . . . 0.0 113.027 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -70.1 -60.4 2.31 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-O 125.663 2.649 . . . . 0.0 106.991 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mt -27.49 -51.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.974 1 C-N-CA 133.161 4.584 . . . . 0.0 115.474 158.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -45.95 -51.01 14.07 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.252 1.421 . . . . 0.0 111.877 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.69 -50.5 33.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.596 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -50.94 -45.78 60.74 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -170.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.25 -52.43 3.82 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.279 1.432 . . . . 0.0 111.539 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.283 73.8 m -82.04 -34.97 29.25 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -171.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.495 26.1 mmt180 73.62 -126.58 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.064 2.546 . . . . 0.0 113.426 -154.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -98.99 12.65 35.34 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 118.468 -2.645 . . . . 0.0 115.8 -165.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -50.84 -50.64 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 172.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.05 -48.0 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.961 0.801 . . . . 0.0 110.295 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -48.99 -52.34 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 C-N-CA 127.686 2.395 . . . . 0.0 116.518 -171.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -38.88 -43.39 0.94 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 127.3 45.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 119.86 1.209 . . . . 0.0 108.825 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -63.68 -44.56 93.34 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.91 1.284 . . . . 0.0 113.205 -172.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.95 -57.32 12.16 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.951 -1.093 . . . . 0.0 112.837 174.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -50.23 -40.47 47.69 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 126.48 1.912 . . . . 0.0 114.455 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.44 -52.43 53.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.409 1.883 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.73 -46.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -166.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.48 -20.3 1.8 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.451 2.701 . . . . 0.0 116.715 173.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -67.97 -38.19 82.46 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.891 1.277 . . . . 0.0 110.297 173.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.01 7.03 7.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.328 1.851 . . . . 0.0 111.967 170.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -103.76 -58.78 1.82 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -27.9 -51.96 0.08 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 118.904 2.927 . . . . 0.0 118.904 164.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.56 -5.35 9.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 124.511 1.124 . . . . 0.0 110.908 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.29 65.35 1.95 Allowed Glycine 0 C--N 1.352 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 115.625 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.0 t -101.18 120.36 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.9 p -120.67 169.73 10.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.828 1.299 . . . . 0.0 111.92 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -163.39 125.12 2.46 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 116.903 -1.522 . . . . 0.0 107.369 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.321 4.9 mm-40 76.92 -0.46 2.97 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-N 123.737 2.971 . . . . 0.0 112.468 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.08 3.37 38.99 Favored Glycine 0 C--N 1.34 0.755 0 C-N-CA 126.546 2.022 . . . . 0.0 112.596 173.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -110.66 146.02 36.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 121.463 -1.022 . . . . 0.0 110.516 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -73.75 125.72 28.75 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 158.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -78.24 92.63 4.5 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 123.113 1.435 . . . . 0.0 114.298 -168.292 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -75.2 -178.24 3.82 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.887 -1.133 . . . . 0.0 111.536 169.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -34.63 -63.91 0.28 Allowed 'General case' 0 C--N 1.352 0.703 0 C-N-CA 128.388 2.675 . . . . 0.0 116.8 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -43.09 -68.04 0.23 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.972 3.309 . . . . 0.0 115.058 166.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -36.07 83.16 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 125.168 1.387 . . . . 0.0 112.583 -166.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.24 -58.17 8.73 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 125.897 1.679 . . . . 0.0 112.956 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 -65.58 -33.55 76.17 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.221 -1.549 . . . . 0.0 113.271 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -57.52 -57.66 11.72 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.082 0.953 . . . . 0.0 113.349 171.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -40.59 87.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.871 -1.143 . . . . 0.0 112.155 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.05 -23.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 O-C-N 121.134 -0.979 . . . . 0.0 109.257 -172.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 t -79.53 -48.45 13.83 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 119.687 -1.883 . . . . 0.0 110.176 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -88.1 6.54 35.86 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -162.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -75.93 -179.29 4.78 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.597 -1.314 . . . . 0.0 114.094 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.411 ' HG1' ' CG ' ' A' ' 65' ' ' ASP . 1.2 p -89.73 150.57 22.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 122.958 1.361 . . . . 0.0 112.215 -175.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -68.53 -43.41 76.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.122 2.169 . . . . 0.0 115.664 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.66 -57.47 5.12 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.043 -1.661 . . . . 0.0 112.987 -174.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' CG ' ' HG1' ' A' ' 62' ' ' THR . 10.2 m-20 -24.45 -51.08 0.03 OUTLIER 'General case' 0 C--N 1.347 0.491 0 N-CA-C 119.481 3.141 . . . . 0.0 119.481 157.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -88.49 -21.29 24.25 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.802 -1.811 . . . . 0.0 110.325 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -81.4 -33.31 32.33 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 122.396 1.093 . . . . 0.0 108.474 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.7 m -58.3 -46.05 86.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 125.95 1.7 . . . . 0.0 111.405 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.9 -32.06 63.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 164.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.8 mt -89.38 -35.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 -165.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.88 -39.59 92.47 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.972 1.309 . . . . 0.0 111.984 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -71.8 -55.28 7.87 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.571 -1.331 . . . . 0.0 112.514 170.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -119.42 96.12 5.08 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.183 -0.948 . . . . 0.0 112.651 -176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.55 -54.03 11.85 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.395 -1.441 . . . . 0.0 112.47 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.12 -36.16 83.13 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.953 -1.092 . . . . 0.0 111.857 173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -62.47 5.46 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.052 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -76.01 -59.71 2.64 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.599 -1.53 . . . . 0.0 112.231 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.01 -33.93 74.45 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.749 -1.845 . . . . 0.0 113.411 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.35 -49.02 46.43 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 121.32 1.873 . . . . 0.0 114.01 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.04 -50.74 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 O-C-N 120.89 -1.359 . . . . 0.0 113.264 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -45.62 -50.2 13.52 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.308 2.243 . . . . 0.0 116.234 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -63.5 -45.12 92.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.254 1.422 . . . . 0.0 110.473 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -69.53 -38.26 77.45 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.868 -1.145 . . . . 0.0 113.881 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.82 -44.77 96.19 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.326 -1.484 . . . . 0.0 112.442 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.71 1.604 . . . . 0.0 112.542 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.1 tpp -64.74 -55.39 20.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.038 1.335 . . . . 0.0 114.044 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -82.76 -35.76 26.31 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 113.605 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.87 97.87 10.68 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 120.887 -1.133 . . . . 0.0 109.441 -172.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -100.15 103.0 14.45 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 120.701 -1.249 . . . . 0.0 112.487 -166.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--N 1.355 0.845 0 C-N-CA 126.033 1.733 . . . . 0.0 113.932 177.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.26 49.3 p-10 . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.6 t -42.1 -44.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 113.598 154.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.04 -74.74 0.1 Allowed 'General case' 0 C--N 1.35 0.623 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.89 22.18 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.769 2.077 . . . . 0.0 114.114 -168.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.77 -15.49 14.14 Favored Glycine 0 C--N 1.359 1.817 0 CA-C-N 121.228 1.831 . . . . 0.0 114.832 166.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.11 132.82 34.66 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 124.669 2.176 . . . . 0.0 115.435 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.1 m -73.13 152.72 41.05 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 112.638 -2.073 . . . . 0.0 111.772 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.88 52.68 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.838 -1.789 . . . . 0.0 113.719 169.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.79 -38.03 89.58 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 123.034 1.397 . . . . 0.0 112.741 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -74.36 -40.64 62.0 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.406 1.882 . . . . 0.0 111.123 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.74 72.15 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.237 1.015 . . . . 0.0 112.996 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -45.27 -64.23 0.77 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.239 1.416 . . . . 0.0 113.346 163.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.81 -22.53 28.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -171.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.95 -44.91 91.53 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.494 1.117 . . . . 0.0 111.966 173.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -91.5 -0.53 57.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.336 -1.478 . . . . 0.0 114.484 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 75.9 mtm -87.7 -61.53 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 O-C-N 119.908 -1.745 . . . . 0.0 109.727 169.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -89.95 -57.87 2.71 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.628 1.171 . . . . 0.0 113.264 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -68.07 -25.53 65.39 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 112.399 -165.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.91 35.85 34.01 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 120.759 -1.213 . . . . 0.0 114.891 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.4 mt -109.3 124.38 65.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.346 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 170.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.01 138.25 34.93 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.058 0.943 . . . . 0.0 110.673 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.11 76.87 1.59 Allowed 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.353 -0.842 . . . . 0.0 110.227 171.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -124.69 57.56 1.26 Allowed 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.517 -1.365 . . . . 0.0 107.373 161.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.29 169.34 13.64 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.815 -1.178 . . . . 0.0 110.89 -170.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.6 128.36 35.47 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 127.799 2.44 . . . . 0.0 111.88 160.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -123.94 114.26 19.56 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.274 0.629 . . . . 0.0 111.269 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.0 p -86.52 -176.95 6.05 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 158.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -10.85 58.56 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.595 -1.316 . . . . 0.0 111.057 171.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -82.55 -35.41 27.23 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 120.271 -1.518 . . . . 0.0 109.286 173.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.68 -43.7 97.4 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 120.347 -1.471 . . . . 0.0 112.145 170.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.24 -41.23 18.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 120.698 -1.251 . . . . 0.0 113.675 167.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -67.09 -33.47 83.51 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 119.543 -1.973 . . . . 0.0 114.83 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -70.99 -37.75 72.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.434 2.294 . . . . 0.0 111.535 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.99 -29.14 70.59 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 119.185 -2.197 . . . . 0.0 112.693 168.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -51.99 22.85 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 125.566 1.546 . . . . 0.0 112.214 173.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -49.1 -38.21 23.94 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 167.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.17 -72.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.633 -0.667 . . . . 0.0 109.713 170.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.3 m -42.8 -54.28 4.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -64.92 -45.35 86.2 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 120.797 1.635 . . . . 0.0 110.393 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.24 -42.13 89.02 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -56.0 -35.96 67.38 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 119.687 -1.883 . . . . 0.0 113.492 171.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 27.4 mt -60.24 -34.73 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 O-C-N 120.022 -1.674 . . . . 0.0 112.126 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -77.64 -21.7 51.82 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 121.487 1.949 . . . . 0.0 109.775 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -65.95 -37.97 87.41 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 118.695 -2.503 . . . . 0.0 112.136 164.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.33 -47.27 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.582 -1.324 . . . . 0.0 113.161 166.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.79 -54.05 47.24 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 124.785 1.234 . . . . 0.0 111.067 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -49.88 -49.34 49.85 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.298 2.239 . . . . 0.0 113.591 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -69.65 -44.82 69.77 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.106 -0.996 . . . . 0.0 112.106 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.29 68.58 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.403 -1.435 . . . . 0.0 114.693 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 68.6 mt -75.8 -14.16 60.3 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.51 -1.369 . . . . 0.0 113.876 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -89.05 -37.76 14.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.916 2.087 . . . . 0.0 108.846 170.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.36 -22.44 66.8 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.1 mt -78.86 158.45 28.12 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.505 1.621 . . . . 0.0 112.296 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 -54.19 2.51 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 126.383 1.873 . . . . 0.0 109.017 -160.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -80.92 140.59 50.3 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 156.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.17 163.13 40.23 Favored 'Trans proline' 0 C--N 1.322 -0.836 0 CA-C-N 122.795 2.034 . . . . 0.0 109.976 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 81.0 p -98.71 -44.55 6.37 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.534 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.04 106.16 10.88 Favored 'General case' 0 C--N 1.37 1.47 0 CA-C-O 123.285 1.517 . . . . 0.0 107.793 -176.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 30.4 p -80.74 -57.25 3.64 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.877 2.071 . . . . 0.0 111.485 -169.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.88 155.81 39.98 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 124.439 1.096 . . . . 0.0 111.585 177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.11 116.6 11.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 O-C-N 120.366 -1.459 . . . . 0.0 109.719 169.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.11 -166.22 1.21 Allowed 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.754 -1.216 . . . . 0.0 109.558 171.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -69.22 -6.86 31.79 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.1 -1.625 . . . . 0.0 113.564 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 1.1 p -63.32 -35.47 80.47 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.392 -1.443 . . . . 0.0 114.867 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 12.4 m-30 -89.54 -7.53 54.69 Favored 'General case' 0 C--N 1.372 1.58 0 CA-C-N 120.555 1.525 . . . . 0.0 109.953 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 10.4 mp -78.37 160.86 27.56 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 123.077 1.418 . . . . 0.0 111.109 -176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 27.3 p30 -108.92 -136.22 0.36 Allowed 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.746 1.218 . . . . 0.0 111.572 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.439 -1.019 0 O-C-N 120.558 -1.338 . . . . 0.0 109.728 176.576 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 m120 . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -136.37 161.16 36.59 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.314 -1.491 . . . . 0.0 109.566 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.1 p30 -52.48 -27.93 18.26 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 171.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.49 -33.57 64.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.307 -1.496 . . . . 0.0 110.59 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.02 -43.82 94.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 127.17 2.188 . . . . 0.0 111.86 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -59.28 -47.42 85.43 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 125.315 1.446 . . . . 0.0 111.556 170.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.26 90.3 t -57.45 -49.53 79.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.832 1.253 . . . . 0.0 111.659 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -47.7 -44.75 27.89 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.186 -1.571 . . . . 0.0 114.489 167.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -61.51 -61.18 2.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.012 0.925 . . . . 0.0 112.39 170.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -42.63 -50.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 127.442 2.297 . . . . 0.0 113.664 176.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mm -65.3 -46.7 89.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.45 1.5 . . . . 0.0 111.545 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -62.94 -52.24 63.82 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.426 -1.421 . . . . 0.0 113.641 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.62 -32.23 51.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 O-C-N 120.286 -1.509 . . . . 0.0 112.135 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -20.98 61.17 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.922 -1.737 . . . . 0.0 113.058 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 m -70.33 -45.19 66.68 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 120.27 -1.518 . . . . 0.0 108.13 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.5 mt -37.03 -63.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 128.876 2.87 . . . . 0.0 114.232 160.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.1 mt -49.77 -47.24 51.13 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.62 1.676 . . . . 0.0 113.376 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.81 -57.77 10.53 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 128.771 2.828 . . . . 0.0 113.316 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.58 -45.48 71.92 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 118.47 -2.644 . . . . 0.0 110.98 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -73.59 -51.83 15.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.254 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -116.83 -11.52 10.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.011 -1.056 . . . . 0.0 113.468 -170.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.296 8.3 tpp180 48.46 -116.75 0.84 Allowed 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.771 2.028 . . . . 0.0 116.186 176.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -92.43 -2.68 56.12 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.987 -1.696 . . . . 0.0 112.251 -170.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.64 -55.66 21.79 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.44 1.496 . . . . 0.0 110.631 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 pt -87.93 -48.85 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 O-C-N 120.612 -1.305 . . . . 0.0 112.042 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.72 -44.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 128.541 2.736 . . . . 0.0 116.325 174.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.25 -28.91 20.51 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -90.27 96.14 10.52 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -170.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.43 73.15 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 119.391 -2.068 . . . . 0.0 114.745 -161.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.57 67.61 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.031 -1.668 . . . . 0.0 114.162 166.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -54.39 -43.28 71.28 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.212 1.405 . . . . 0.0 114.77 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -54.84 -49.81 70.16 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.158 0.983 . . . . 0.0 111.738 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.07 -37.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-O 122.763 1.268 . . . . 0.0 107.963 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.25 57.88 Favored 'General case' 0 C--N 1.364 1.214 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -33.06 74.25 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.886 1.274 . . . . 0.0 110.686 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -71.25 -40.82 70.77 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 122.68 1.228 . . . . 0.0 111.06 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -67.15 -37.98 84.72 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.344 -2.097 . . . . 0.0 112.763 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.98 -53.04 2.41 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.778 2.831 . . . . 0.0 114.834 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -15.98 7.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 58.61 2.11 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 119.261 -2.15 . . . . 0.0 115.447 171.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.61 126.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.4 p -117.84 171.84 7.78 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 119.923 -1.735 . . . . 0.0 112.257 -176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.55 149.46 35.89 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 166.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 60.2 0.17 0.28 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.49 -16.7 44.33 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 120.567 -1.333 . . . . 0.0 111.862 -172.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -98.2 141.47 31.07 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.993 0.917 . . . . 0.0 110.557 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -74.43 122.41 22.96 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.313 0.8 OUTLIER -74.63 82.87 2.05 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 123.654 1.693 . . . . 0.0 114.479 -164.281 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -71.91 170.97 12.62 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 120.853 -1.154 . . . . 0.0 110.189 168.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -42.02 -45.79 3.98 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 127.59 2.356 . . . . 0.0 116.833 -170.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -50.71 -64.12 0.91 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.322 1.849 . . . . 0.0 113.389 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.5 m -66.2 -32.78 74.42 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.553 -1.342 . . . . 0.0 113.076 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.09 -42.19 99.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.972 -1.08 . . . . 0.0 113.573 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -76.35 -30.44 57.61 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.132 -1.605 . . . . 0.0 110.385 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.48 -53.62 56.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 125.135 1.374 . . . . 0.0 113.855 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.53 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.44 -41.95 22.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 C-N-CA 127.882 2.473 . . . . 0.0 112.655 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.2 p -65.38 -28.77 69.5 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.137 -1.602 . . . . 0.0 114.842 167.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.62 -22.09 1.87 Allowed 'General case' 0 C--N 1.349 0.554 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 165.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.26 138.17 53.69 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.915 -1.74 . . . . 0.0 113.234 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.46 178.59 6.48 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.108 0.963 . . . . 0.0 108.961 173.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -62.89 -51.59 66.37 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 119.369 -2.082 . . . . 0.0 115.396 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.1 -59.31 3.57 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 122.721 1.248 . . . . 0.0 113.1 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.251 1.7 m-20 -11.86 -77.24 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.77 3.228 . . . . 0.0 118.144 147.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.63 -37.72 85.04 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.366 -1.459 . . . . 0.0 114.387 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 121.214 -0.929 . . . . 0.0 110.842 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.2 m -52.56 -47.51 66.74 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.036 2.135 . . . . 0.0 113.474 168.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.96 -42.34 73.31 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.829 -1.169 . . . . 0.0 111.994 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mt -48.12 -48.98 12.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 126.069 1.748 . . . . 0.0 112.35 165.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.59 74.8 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.538 -1.351 . . . . 0.0 114.107 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.57 -69.04 0.45 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.467 1.107 . . . . 0.0 113.176 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -119.68 96.27 5.12 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.225 -0.922 . . . . 0.0 111.652 -163.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -64.9 -58.98 4.72 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.632 1.173 . . . . 0.0 113.212 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.8 -34.44 77.82 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.663 -1.273 . . . . 0.0 112.09 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.1 -50.51 45.54 Favored Glycine 0 C--N 1.344 1.018 0 O-C-N 120.918 -1.114 . . . . 0.0 113.528 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -78.57 -63.02 1.5 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.864 -1.374 . . . . 0.0 111.797 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -62.88 -27.85 69.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.659 -1.276 . . . . 0.0 113.216 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.31 -56.37 20.49 Favored Glycine 0 C--N 1.348 1.221 0 O-C-N 121.435 -0.79 . . . . 0.0 113.038 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.88 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 CA-C-N 120.372 2.086 . . . . 0.0 112.169 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -44.05 -61.2 1.55 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 128.361 2.664 . . . . 0.0 113.788 162.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -58.83 -41.65 87.41 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.55 -41.41 75.94 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.904 -1.122 . . . . 0.0 111.501 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.1 tp -53.81 -59.27 4.84 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.649 1.58 . . . . 0.0 114.578 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.9 -20.31 61.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 121.267 -0.896 . . . . 0.0 112.298 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -71.51 -63.52 1.1 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.226 -0.921 . . . . 0.0 111.66 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -9.6 57.49 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -167.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -83.62 144.67 29.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.896 -1.752 . . . . 0.0 113.166 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.45 125.99 17.94 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.707 1.603 . . . . 0.0 114.925 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 N--CA 1.451 -0.418 0 O-C-N 120.912 -1.117 . . . . 0.0 109.969 173.83 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.11 -44.71 83.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 O-C-N 120.946 -1.096 . . . . 0.0 111.072 173.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.76 -56.51 20.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.81 -25.0 44.2 Favored 'General case' 0 C--N 1.372 1.56 0 CA-C-N 122.244 2.293 . . . . 0.0 112.579 -172.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 115.36 -11.15 19.5 Favored Glycine 0 CA--C 1.496 -1.129 0 O-C-N 120.962 -1.086 . . . . 0.0 113.603 166.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.97 131.81 34.43 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 123.896 1.808 . . . . 0.0 113.898 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 78.2 p -74.96 165.05 25.88 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 122.537 1.161 . . . . 0.0 111.272 170.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.52 39.85 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.319 1.447 . . . . 0.0 113.719 171.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -74.2 -39.01 63.44 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 127.352 2.261 . . . . 0.0 111.316 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -75.42 -29.64 59.81 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 0.0 109.578 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.94 -37.54 61.97 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.341 -1.474 . . . . 0.0 113.116 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -46.07 -66.76 0.36 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.94 2.096 . . . . 0.0 112.363 167.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 97.8 t -54.06 -30.02 19.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.903 2.081 . . . . 0.0 114.725 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.83 -39.55 87.69 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.194 -1.566 . . . . 0.0 113.149 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -70.94 -60.36 2.28 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 119.803 -1.811 . . . . 0.0 110.588 164.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -39.14 -52.24 1.9 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -108.03 -41.33 4.97 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.625 1.17 . . . . 0.0 112.265 -172.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -95.49 -13.01 24.9 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.361 -0.837 . . . . 0.0 111.227 -169.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 67.52 29.32 73.93 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 120.164 -1.585 . . . . 0.0 115.162 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.19 125.12 67.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 124.506 1.123 . . . . 0.0 108.386 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.23 100.22 10.72 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.684 -1.26 . . . . 0.0 110.533 -177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.6 mtm -96.66 -4.73 40.41 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.902 -1.124 . . . . 0.0 112.273 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.96 54.75 0.0 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 119.67 3.211 . . . . 0.0 119.67 167.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 569' ' ' THR . . . . . 0.488 HG23 ' H ' ' B' ' 570' ' ' ASP . 0.8 OUTLIER -128.04 -175.59 3.54 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 118.562 -2.586 . . . . 0.0 108.867 -176.243 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . 0.488 ' H ' HG23 ' B' ' 569' ' ' THR . 28.4 t70 -74.24 114.79 13.01 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 159.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.89 97.56 5.41 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.582 1.182 . . . . 0.0 109.473 -168.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.12 161.8 30.37 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.311 1.444 . . . . 0.0 111.253 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.37 -27.47 56.42 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.162 -2.211 . . . . 0.0 111.786 -164.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.55 -45.22 95.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.347 1.859 . . . . 0.0 111.928 165.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.21 -30.59 70.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.583 2.353 . . . . 0.0 114.516 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 75.5 t -51.42 -40.57 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 O-C-N 120.563 -1.336 . . . . 0.0 114.302 164.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.16 88.11 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.431 -2.043 . . . . 0.0 113.703 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.1 -44.5 88.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 130.164 3.386 . . . . 0.0 111.529 170.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -24.32 65.25 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 118.994 -2.316 . . . . 0.0 113.636 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -54.68 11.08 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.714 -1.241 . . . . 0.0 111.632 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.95 -56.7 3.17 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 164.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.51 -62.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 124.548 1.139 . . . . 0.0 111.565 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 22.5 m -41.8 -49.27 4.39 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 166.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -69.99 -43.36 71.59 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 120.633 1.561 . . . . 0.0 110.583 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -54.79 -47.78 73.55 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.866 1.266 . . . . 0.0 111.901 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.24 -31.11 71.63 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.785 -1.197 . . . . 0.0 111.603 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.27 95.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.32 -2.113 . . . . 0.0 112.452 170.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -73.7 -20.07 60.64 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-N 123.598 2.908 . . . . 0.0 108.673 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -66.73 -37.14 84.07 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.683 -1.886 . . . . 0.0 113.914 162.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.06 -44.61 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.401 1.48 . . . . 0.0 114.612 167.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -47.48 -54.18 12.2 Favored 'General case' 0 C--N 1.364 1.227 0 C-N-CA 126.345 1.858 . . . . 0.0 110.248 176.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.07 -43.93 20.56 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 127.622 2.369 . . . . 0.0 114.464 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -81.7 -26.66 34.46 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.78 -1.2 . . . . 0.0 111.309 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.73 -34.05 46.18 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.777 -1.202 . . . . 0.0 111.199 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.27 5.46 3.56 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.291 -1.506 . . . . 0.0 113.556 168.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -107.31 -20.95 13.11 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 126.554 1.942 . . . . 0.0 110.392 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -70.56 -26.0 63.35 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 118.663 -2.523 . . . . 0.0 113.461 158.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.43 159.7 19.9 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.412 1.577 . . . . 0.0 112.71 164.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -154.88 -47.35 0.09 Allowed 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 126.69 1.996 . . . . 0.0 107.463 -162.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -72.47 124.4 90.74 Favored Pre-proline 0 C--N 1.352 0.705 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 157.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -67.77 156.89 64.19 Favored 'Trans proline' 0 CA--C 1.512 -0.585 0 CA-C-N 123.842 2.408 . . . . 0.0 115.553 -163.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 17.2 t -83.57 -61.98 1.7 Allowed 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 163.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -111.56 134.19 53.31 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 122.006 0.908 . . . . 0.0 110.488 -174.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 73.2 m -79.71 -49.1 12.57 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.31 1.044 . . . . 0.0 110.156 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.52 66.89 9.15 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 122.956 1.36 . . . . 0.0 111.795 -169.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.5 118.66 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 125.019 1.328 . . . . 0.0 108.504 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.63 -175.51 3.29 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.164 0.985 . . . . 0.0 108.672 -176.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -117.11 -121.82 0.3 Allowed 'General case' 0 C--N 1.345 0.376 0 O-C-N 120.145 -1.597 . . . . 0.0 110.905 -167.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 14.6 m -103.39 -13.25 16.73 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.848 1.659 . . . . 0.0 112.976 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -92.91 -31.71 14.85 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -111.62 90.08 3.24 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 119.921 -1.737 . . . . 0.0 107.726 -170.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 41.2 t0 53.06 122.38 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.853 2.061 . . . . 0.0 116.191 -162.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 CA--C 1.558 1.281 0 C-N-CA 128.744 2.818 . . . . 0.0 114.664 -162.007 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 CA--C 1.507 -0.695 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -132.46 178.19 7.02 Favored 'General case' 0 C--N 1.345 0.372 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 163.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.68 -53.35 7.24 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.616 -1.302 . . . . 0.0 110.364 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.07 -25.09 35.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.5 -41.78 96.24 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 118.892 -2.38 . . . . 0.0 114.267 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.7 m -60.59 -40.6 92.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.624 -1.923 . . . . 0.0 110.75 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -57.08 -54.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 125.404 1.482 . . . . 0.0 111.887 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -48.77 -49.12 40.09 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.332 1.853 . . . . 0.0 113.605 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.62 -56.18 25.54 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.965 0.906 . . . . 0.0 112.505 174.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -45.66 -52.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.96 1.704 . . . . 0.0 114.726 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 27.6 pt -68.61 -42.66 83.52 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 O-C-N 120.868 -1.145 . . . . 0.0 111.81 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.3 m -60.74 -46.29 91.0 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.046 1.338 . . . . 0.0 112.499 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.18 -30.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 O-C-N 119.826 -1.796 . . . . 0.0 111.818 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.68 -22.06 54.5 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 120.017 -1.677 . . . . 0.0 114.519 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -70.9 -47.27 60.05 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.877 -1.764 . . . . 0.0 108.949 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -32.3 -52.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 129.413 3.085 . . . . 0.0 116.734 156.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.1 mt -48.61 -54.8 13.2 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 120.239 1.382 . . . . 0.0 111.856 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.9 mm -64.59 -38.67 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 127.881 2.472 . . . . 0.0 111.281 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -59.7 3.23 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 123.848 1.785 . . . . 0.0 110.465 -176.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -81.31 -59.13 2.75 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.624 2.37 . . . . 0.0 112.67 -163.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -107.41 -2.36 20.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.036 -1.04 . . . . 0.0 111.332 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.309 32.4 mtm180 63.4 -127.8 0.52 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.685 1.594 . . . . 0.0 114.614 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -93.95 -6.18 46.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.199 -1.563 . . . . 0.0 112.961 -167.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.67 -48.2 80.33 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 pt -83.12 -40.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.407 1.083 . . . . 0.0 111.198 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.94 -42.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 128.85 2.86 . . . . 0.0 114.443 163.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -56.96 -36.24 70.06 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.048 1.739 . . . . 0.0 114.369 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -86.32 89.44 7.86 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -71.42 -21.23 62.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.445 -2.034 . . . . 0.0 115.607 -157.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -54.72 22.73 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.043 0.937 . . . . 0.0 113.089 164.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.04 -41.2 62.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 126.921 2.088 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.56 -52.13 64.77 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.57 1.148 . . . . 0.0 112.377 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.43 -44.6 79.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 CA-C-O 122.215 1.007 . . . . 0.0 108.584 -171.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -22.86 4.81 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 128.289 2.635 . . . . 0.0 116.961 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -41.17 67.82 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.982 0.913 . . . . 0.0 110.318 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.17 -44.37 92.27 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.144 0.973 . . . . 0.0 109.91 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.15 -52.55 64.84 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.046 1.339 . . . . 0.0 113.114 175.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -39.33 -55.7 1.68 Allowed 'General case' 0 C--N 1.35 0.621 0 C-N-CA 127.617 2.367 . . . . 0.0 116.151 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 pt -87.39 -21.58 7.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 O-C-N 120.91 -1.119 . . . . 0.0 112.214 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.71 37.0 4.35 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 120.105 -1.622 . . . . 0.0 114.475 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.67 106.76 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -124.96 -178.91 4.33 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.085 -1.009 . . . . 0.0 109.483 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -142.95 129.46 20.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 174.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 48.3 29.26 1.86 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.27 -8.36 77.52 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 126.044 1.783 . . . . 0.0 113.702 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -99.65 137.65 37.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.545 -1.562 . . . . 0.0 110.514 -172.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -84.08 124.83 31.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.065 -1.022 . . . . 0.0 109.233 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 99.34 11.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 -158.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -63.26 179.69 0.4 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 125.757 1.623 . . . . 0.0 113.485 162.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -63.05 -39.54 95.05 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.808 -1.182 . . . . 0.0 113.001 -170.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -52.2 -59.93 3.81 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.944 1.698 . . . . 0.0 114.442 164.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -66.76 -34.79 78.62 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.595 -1.316 . . . . 0.0 113.021 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.21 -51.97 66.75 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.629 1.572 . . . . 0.0 110.696 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -69.62 -26.28 64.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.55 -1.344 . . . . 0.0 112.923 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.23 89.84 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 119.949 -1.72 . . . . 0.0 112.337 166.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -33.85 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 120.838 -1.164 . . . . 0.0 113.035 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.99 -41.84 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.033 2.133 . . . . 0.0 112.946 166.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -59.21 -51.1 71.43 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.268 -2.145 . . . . 0.0 115.275 173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.1 -29.51 60.72 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 128.304 2.641 . . . . 0.0 118.046 -172.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.18 147.87 31.12 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.826 -1.171 . . . . 0.0 113.285 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.459 ' HG1' ' CG ' ' A' ' 65' ' ' ASP . 46.8 p -76.36 179.47 5.8 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 123.23 1.49 . . . . 0.0 113.212 -172.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -68.39 -40.08 81.49 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.603 -1.311 . . . . 0.0 111.977 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -59.28 -62.81 1.61 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.391 1.476 . . . . 0.0 113.22 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' CG ' ' HG1' ' A' ' 62' ' ' THR 0.309 88.2 m-20 -33.68 -63.37 0.26 Allowed 'General case' 0 C--N 1.349 0.552 0 C-N-CA 128.503 2.721 . . . . 0.0 116.377 168.265 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -43.91 -60.51 1.8 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.87 3.268 . . . . 0.0 115.505 169.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HZ1' ' CG ' ' A' ' 71' ' ' ASP . 7.6 tmtt? -75.53 -29.77 59.55 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.239 -0.913 . . . . 0.0 110.685 -172.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.7 m -56.23 -45.4 79.98 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 126.528 1.931 . . . . 0.0 113.376 166.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.7 -48.92 67.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.388 -1.445 . . . . 0.0 113.437 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.3 mt -52.6 -47.51 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 112.195 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' CG ' ' HZ1' ' A' ' 67' ' ' LYS . 80.3 m-20 -72.7 -16.57 61.68 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 119.898 -1.751 . . . . 0.0 114.253 174.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.99 -65.27 0.9 Allowed 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.567 -1.333 . . . . 0.0 110.471 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -127.47 99.18 5.51 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.9 -58.02 4.01 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.421 1.105 . . . . 0.0 109.926 -168.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -70.31 -32.73 70.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.096 2.158 . . . . 0.0 112.282 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.95 -56.62 21.48 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 125.078 1.323 . . . . 0.0 113.41 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -64.02 -39.13 93.41 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.853 -1.381 . . . . 0.0 111.413 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -52.9 -49.71 65.35 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 114.184 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.54 96.11 Favored Glycine 0 C--N 1.355 1.611 0 O-C-N 120.344 -1.472 . . . . 0.0 113.553 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.83 -49.67 82.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 O-C-N 121.698 -0.883 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -46.72 -66.73 0.36 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 163.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -71.68 -25.41 62.09 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -167.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -81.78 -38.93 24.85 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.564 -1.335 . . . . 0.0 110.76 171.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.35 -48.58 80.65 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.256 -1.528 . . . . 0.0 113.216 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -60.26 -38.79 84.58 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.719 -1.238 . . . . 0.0 114.185 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -78.47 -43.2 27.67 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.708 0.803 . . . . 0.0 112.407 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -81.01 -32.44 34.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.751 -1.218 . . . . 0.0 113.951 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -66.98 117.79 9.54 Favored 'General case' 0 C--N 1.359 0.997 0 O-C-N 119.856 -1.778 . . . . 0.0 113.188 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -42.42 97.26 0.01 OUTLIER 'General case' 0 C--N 1.358 0.97 0 C-N-CA 127.182 2.193 . . . . 0.0 116.68 -170.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 125.675 1.59 . . . . 0.0 114.772 -179.668 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 119.704 -0.189 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 85.7 t -61.49 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.398 -1.439 . . . . 0.0 112.277 172.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 47.1 mt -58.46 -46.63 86.19 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -86.49 -32.15 20.93 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 120.203 1.365 . . . . 0.0 112.001 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 121.55 -18.92 8.64 Favored Glycine 0 CA--C 1.494 -1.219 0 O-C-N 120.629 -1.294 . . . . 0.0 112.101 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.271 0.8 OUTLIER -79.26 135.85 36.88 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 124.498 2.094 . . . . 0.0 116.3 -167.317 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 82.4 p -88.02 169.72 11.73 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.898 -167.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.52 64.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.69 -1.257 . . . . 0.0 112.259 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -72.06 -50.22 30.19 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.479 -1.388 . . . . 0.0 109.556 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -58.12 -53.22 60.75 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.862 2.865 . . . . 0.0 113.315 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.43 -18.65 63.75 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.118 -0.989 . . . . 0.0 112.655 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -79.83 -44.21 20.97 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 120.158 -1.589 . . . . 0.0 109.546 170.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 9.1 t -55.34 -33.37 31.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 O-C-N 120.133 -1.604 . . . . 0.0 114.558 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.31 -53.69 52.97 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 126.256 1.822 . . . . 0.0 112.299 173.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -82.46 -12.51 57.8 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 96.3 mtp -73.86 -68.53 0.51 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 118.961 -2.337 . . . . 0.0 113.273 162.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -95.9 -42.93 8.06 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 126.105 1.762 . . . . 0.0 113.044 -160.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.67 -15.15 59.88 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 121.85 -0.531 . . . . 0.0 111.012 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 81.64 24.37 56.22 Favored Glycine 0 CA--C 1.485 -1.806 0 O-C-N 121.152 -0.968 . . . . 0.0 114.443 170.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.59 110.62 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.055 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -81.78 96.67 7.66 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.2 ptp -107.53 70.27 0.77 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 122.778 1.275 . . . . 0.0 110.493 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.86 41.4 3.37 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.273 -1.517 . . . . 0.0 111.336 -167.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 17.4 p -133.68 -178.64 5.1 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.761 -1.212 . . . . 0.0 110.69 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -59.62 71.42 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.981 2.512 . . . . 0.0 115.63 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -71.71 110.73 6.45 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.6 p -88.11 164.12 15.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.634 1.574 . . . . 0.0 110.774 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.35 -26.25 62.92 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.94 -41.05 87.65 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.175 -2.203 . . . . 0.0 113.265 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -71.16 -27.76 63.77 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.229 1.411 . . . . 0.0 111.805 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' B' ' 579' ' ' GLN . 57.6 t -61.02 -39.43 82.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 119.289 -2.132 . . . . 0.0 112.332 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -66.43 -40.34 94.4 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 119.69 -1.881 . . . . 0.0 114.569 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -54.6 -44.46 73.09 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.586 1.954 . . . . 0.0 115.075 163.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' B' ' 576' ' ' VAL 0.256 3.5 pt20 -70.47 -33.85 71.73 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 122.682 2.492 . . . . 0.0 112.72 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -34.18 77.43 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 120.176 -1.577 . . . . 0.0 114.845 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.74 -74.21 0.07 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.196 1.398 . . . . 0.0 113.116 161.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.79 -60.34 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 128.143 2.577 . . . . 0.0 111.381 -168.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -36.17 64.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 171.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -75.36 -46.97 29.8 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 118.733 -2.479 . . . . 0.0 109.068 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -51.18 -26.32 6.72 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.936 2.094 . . . . 0.0 114.19 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -70.3 -23.85 62.92 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.757 -1.214 . . . . 0.0 111.925 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 60.9 mt -76.27 -39.29 34.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 119.356 -2.09 . . . . 0.0 112.474 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.97 -48.1 0.39 Allowed 'General case' 0 C--N 1.344 0.365 0 N-CA-C 118.062 2.616 . . . . 0.0 118.062 147.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -80.35 -36.22 34.42 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.666 -1.271 . . . . 0.0 113.269 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.3 mt -55.76 -47.9 78.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 126.789 2.036 . . . . 0.0 113.728 167.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -36.19 74.53 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 121.812 0.815 . . . . 0.0 111.743 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.1 95.24 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.574 1.549 . . . . 0.0 112.267 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -67.03 -53.47 30.89 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.652 1.215 . . . . 0.0 110.62 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -59.61 -31.62 69.65 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.27 -0.84 51.4 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 173.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -83.7 -37.01 23.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.014 -1.679 . . . . 0.0 108.872 160.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -76.58 -28.93 56.38 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.114 -2.241 . . . . 0.0 115.819 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.52 100.85 13.53 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.003 -1.686 . . . . 0.0 110.445 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -84.12 -3.35 58.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -170.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.39 128.85 57.72 Favored Pre-proline 0 C--N 1.349 0.574 0 O-C-N 119.388 -2.07 . . . . 0.0 112.5 176.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -67.93 118.66 5.77 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 121.805 1.67 . . . . 0.0 114.853 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 t -69.24 143.32 53.97 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.689 0.795 . . . . 0.0 111.809 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -85.96 151.82 23.43 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.462 -0.774 . . . . 0.0 110.436 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 50.3 m -78.65 -15.46 58.47 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.145 -1.597 . . . . 0.0 113.959 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -74.87 112.63 11.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.516 -1.365 . . . . 0.0 112.964 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 5.5 p -93.71 128.64 44.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-O 122.251 1.024 . . . . 0.0 109.093 171.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 77.8 mt -102.79 141.74 35.1 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.188 1.395 . . . . 0.0 108.884 176.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -166.42 -87.22 0.02 OUTLIER 'General case' 0 C--N 1.353 0.734 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 13.3 t -132.16 -114.44 0.23 Allowed 'General case' 0 C--N 1.358 0.975 0 O-C-N 119.72 -1.862 . . . . 0.0 111.677 163.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -85.59 42.34 0.95 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.044 -1.66 . . . . 0.0 114.014 -159.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.91 18.71 17.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 118.392 -2.693 . . . . 0.0 110.548 -171.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -57.55 -35.34 70.2 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -172.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 45.2 t0 . . . . . 0 CA--C 1.553 1.08 0 C-N-CA 124.646 1.178 . . . . 0.0 110.377 176.562 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.442 -0.862 0 CA-C-O 122.605 1.193 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.457 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 8.1 tptm -88.1 141.25 28.72 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.02 -171.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -100.91 -58.53 1.87 Allowed 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.626 1.17 . . . . 0.0 109.726 171.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tp -61.81 -31.82 52.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 124.927 1.291 . . . . 0.0 114.372 -165.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.22 -46.12 62.15 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.605 1.962 . . . . 0.0 114.128 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -70.55 -40.37 73.44 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 111.47 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.24 -48.06 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.407 -0.808 . . . . 0.0 111.783 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -52.53 -36.69 56.02 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.535 1.534 . . . . 0.0 114.116 167.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' CD ' HH21 ' B' ' 562' ' ' ARG . 7.0 tp10 -64.26 -60.49 3.13 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.058 0.943 . . . . 0.0 111.235 173.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -47.94 -49.17 11.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 127.421 2.289 . . . . 0.0 113.243 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 tp -64.35 -46.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 120.93 -1.106 . . . . 0.0 112.689 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 m -63.98 -47.16 81.49 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.307 -1.496 . . . . 0.0 112.97 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.97 -27.95 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.775 -1.203 . . . . 0.0 112.372 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.67 58.95 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 119.141 -2.225 . . . . 0.0 113.157 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 t -69.61 -48.89 58.48 Favored 'General case' 0 C--N 1.367 1.327 0 CA-C-O 123.211 1.481 . . . . 0.0 107.093 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.4 mt -35.42 -59.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 128.536 2.734 . . . . 0.0 115.093 161.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.51 -47.58 48.65 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 123.02 1.39 . . . . 0.0 112.453 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 mm -63.43 -62.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 C-N-CA 126.751 2.02 . . . . 0.0 111.931 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -70.78 -23.68 62.44 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.727 -1.858 . . . . 0.0 111.835 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -84.35 -64.49 1.15 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.432 1.093 . . . . 0.0 111.445 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -113.83 -5.69 13.25 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -162.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.284 1.4 tpp85 55.74 -127.61 2.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 169.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -91.02 -12.03 37.06 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 119.947 -1.721 . . . . 0.0 111.375 -165.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -64.68 -48.55 74.34 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.26 1.024 . . . . 0.0 111.868 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 pt -85.2 -45.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 121.388 -0.82 . . . . 0.0 112.58 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.39 -32.95 46.49 Favored 'Isoleucine or valine' 0 C--N 1.365 1.24 0 CA-C-O 123.451 1.596 . . . . 0.0 112.803 -160.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -43.69 -45.53 7.04 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 130.517 3.527 . . . . 0.0 114.391 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -67.77 119.54 12.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.528 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mmt-85 -61.99 -49.34 76.48 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -171.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.37 -34.0 55.14 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 121.018 -1.051 . . . . 0.0 113.763 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -62.07 -36.12 80.71 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -61.6 -63.79 1.16 Allowed 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.177 -1.577 . . . . 0.0 113.541 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -22.6 -63.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.616 2.767 . . . . 0.0 114.775 145.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.15 81.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 118.865 -2.397 . . . . 0.0 116.22 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.23 -42.81 93.02 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 125.179 1.392 . . . . 0.0 110.62 175.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.69 -38.1 77.51 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.929 -1.107 . . . . 0.0 112.387 173.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.66 -47.14 67.29 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.452 -1.405 . . . . 0.0 111.672 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -49.03 -56.25 9.54 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.43 -9.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.187 -1.571 . . . . 0.0 110.267 175.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.57 62.34 1.79 Allowed Glycine 0 CA--C 1.486 -1.748 0 O-C-N 121.383 -0.823 . . . . 0.0 114.167 158.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -89.43 129.53 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-O 124.678 2.18 . . . . 0.0 109.161 170.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -110.33 138.47 46.68 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 128.233 2.613 . . . . 0.0 109.34 -165.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 34.7 t60 -159.22 160.45 35.38 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 164.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 58.1 21.3 7.78 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 124.231 1.967 . . . . 0.0 113.608 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.56 3.05 90.12 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 126.571 2.034 . . . . 0.0 112.622 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -117.0 162.19 18.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.01 1.724 . . . . 0.0 109.289 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.553 ' H ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -79.29 132.32 36.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 153.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.393 4.0 pp -71.87 103.37 3.14 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 -161.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -85.15 -168.48 2.24 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 119.886 -1.759 . . . . 0.0 112.644 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.88 -42.34 93.53 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -163.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.28 -50.49 46.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 122.496 1.141 . . . . 0.0 112.135 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 m -63.85 -34.57 78.22 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.312 1.845 . . . . 0.0 113.134 -171.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.371 2.268 . . . . 0.0 112.092 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 120.403 -1.435 . . . . 0.0 112.023 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -53.46 -54.64 34.13 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.576 1.951 . . . . 0.0 112.887 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -32.36 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 119.993 -1.692 . . . . 0.0 112.956 -170.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.58 -23.98 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 125.763 1.625 . . . . 0.0 112.826 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 m -67.79 -43.01 80.73 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 119.469 -2.019 . . . . 0.0 114.131 161.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.21 -20.6 62.98 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 120.349 3.462 . . . . 0.0 120.349 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.32 144.95 37.68 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 119.448 -2.032 . . . . 0.0 112.04 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.6 p -74.47 174.15 9.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.278 -1.514 . . . . 0.0 113.901 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.91 -37.82 85.07 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 120.069 -1.645 . . . . 0.0 113.175 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.83 -51.11 69.58 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.761 -1.837 . . . . 0.0 113.787 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 3.2 m-20 -48.96 -55.0 13.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 125.671 2.653 . . . . 0.0 113.586 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -56.18 -51.56 67.59 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.722 2.809 . . . . 0.0 113.82 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -71.39 -35.28 71.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -174.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 m -52.0 -39.16 59.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.958 1.303 . . . . 0.0 114.053 165.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 119.348 -2.095 . . . . 0.0 113.15 169.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -50.18 -46.28 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.924 1.69 . . . . 0.0 112.365 171.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -62.85 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.09 1.756 . . . . 0.0 113.82 165.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.98 -51.61 63.49 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -171.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -131.84 68.3 1.5 Allowed 'General case' 0 CA--C 1.509 -0.631 0 O-C-N 120.791 -1.193 . . . . 0.0 109.436 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -53.48 -49.48 67.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.351 1.46 . . . . 0.0 113.956 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.06 -42.15 94.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.18 -27.63 55.31 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 119.66 -1.9 . . . . 0.0 112.242 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.8 -56.81 8.76 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.428 -1.042 . . . . 0.0 110.479 173.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.06 -44.53 41.84 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.149 2.18 . . . . 0.0 113.327 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.97 3.36 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 125.042 1.306 . . . . 0.0 113.749 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.62 -33.95 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 119.843 -1.974 . . . . 0.0 112.897 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -32.27 -57.15 0.33 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.493 2.317 . . . . 0.0 116.569 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -57.8 -62.6 1.69 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.554 1.942 . . . . 0.0 112.599 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -55.4 -38.9 69.51 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.267 1.427 . . . . 0.0 113.54 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.91 -61.4 2.33 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.101 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.0 -29.61 66.73 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.029 -1.67 . . . . 0.0 114.065 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.6 mtm -66.09 -51.43 58.08 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.668 -1.27 . . . . 0.0 112.692 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -85.3 -31.47 23.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.034 -1.041 . . . . 0.0 113.737 -171.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -65.5 118.87 10.08 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.067 -1.646 . . . . 0.0 113.74 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -41.29 130.57 2.88 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 129.329 3.052 . . . . 0.0 116.861 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 pttm . . . . . 0 C--N 1.347 0.473 0 O-C-N 119.883 -1.76 . . . . 0.0 114.094 -177.365 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.336 2.7 p30 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.15 -39.97 85.8 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 119.939 -1.726 . . . . 0.0 112.722 167.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.29 -55.45 28.12 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.68 1.127 . . . . 0.0 113.655 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -38.48 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.353 0.744 0 N-CA-C 119.277 3.065 . . . . 0.0 119.277 160.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 109.21 -27.29 12.9 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 120.742 -1.224 . . . . 0.0 112.143 -165.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -88.09 124.13 33.46 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.45 -1.03 . . . . 0.0 110.439 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 552' ' ' THR . . . . . 0.46 HG21 ' H ' ' B' ' 553' ' ' ALA . 0.2 OUTLIER -75.55 -171.06 1.4 Allowed 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.376 -1.453 . . . . 0.0 113.652 -172.196 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . 0.46 ' H ' HG21 ' B' ' 552' ' ' THR . . . -52.29 -57.24 10.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -76.03 -28.73 57.82 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.208 -1.557 . . . . 0.0 111.564 -165.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.33 -47.98 62.54 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.254 2.221 . . . . 0.0 112.342 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.44 -24.08 65.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 121.179 -0.951 . . . . 0.0 112.688 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -79.33 -44.9 20.69 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.719 -1.238 . . . . 0.0 109.281 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.72 -17.41 17.37 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.103 -1.623 . . . . 0.0 114.776 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 25.7 mt -68.32 -28.6 67.3 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.287 1.435 . . . . 0.0 112.541 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -73.85 0.12 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.834 1.254 . . . . 0.0 109.919 152.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 79.0 mtp -37.73 -46.92 0.94 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 119.908 3.299 . . . . 0.0 119.908 -169.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . 0.434 HH21 ' CD ' ' A' ' 10' ' ' GLU . 25.7 mmt180 -112.34 -38.13 4.78 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.761 1.225 . . . . 0.0 112.658 -172.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -93.74 -18.91 21.58 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 123.742 0.817 . . . . 0.0 110.445 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.14 79.55 Favored Glycine 0 C--N 1.348 1.203 0 C-N-CA 124.494 1.045 . . . . 0.0 115.196 174.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.24 132.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-O 121.876 0.846 . . . . 0.0 109.551 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -92.4 95.3 9.58 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.946 -1.096 . . . . 0.0 108.762 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.77 61.17 0.8 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 123.779 1.752 . . . . 0.0 111.647 168.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.42 -16.08 7.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.158 1.783 . . . . 0.0 113.419 -167.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 19.9 p -75.58 -103.88 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.03 136.27 50.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.485 2.714 . . . . 0.0 109.129 -168.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -126.2 152.62 45.79 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.836 1.303 . . . . 0.0 111.949 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 17.5 p -123.69 167.15 14.36 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 162.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.2 -19.51 46.85 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.203 -1.561 . . . . 0.0 109.685 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.83 -54.77 38.01 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 125.2 1.4 . . . . 0.0 112.66 159.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.41 -20.07 59.13 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.08 -42.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.278 -1.514 . . . . 0.0 110.535 161.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.55 -51.31 49.03 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 124.235 0.922 . . . . 0.0 114.259 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -71.24 -28.78 64.42 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 119.093 1.446 . . . . 0.0 110.956 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -18.64 63.64 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.755 -1.84 . . . . 0.0 113.27 170.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.4 -61.74 1.76 Allowed 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.204 -1.56 . . . . 0.0 112.035 173.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -22.18 -69.54 0.03 OUTLIER 'General case' 0 C--N 1.348 0.531 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 151.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.51 -63.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.126 0.97 . . . . 0.0 112.584 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 2.4 m -55.62 -34.73 65.16 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 118.424 2.75 . . . . 0.0 118.424 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -71.17 -49.97 38.26 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.026 -2.296 . . . . 0.0 111.997 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.79 -48.16 15.59 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.662 1.585 . . . . 0.0 112.874 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 172.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.54 -36.64 77.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.109 -1.619 . . . . 0.0 111.538 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -74.39 -19.29 60.48 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 119.559 -1.963 . . . . 0.0 110.696 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.67 -22.06 34.74 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.759 1.623 . . . . 0.0 113.653 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.36 -39.99 79.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 120.074 -1.641 . . . . 0.0 112.732 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.31 -57.08 6.5 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.148 2.579 . . . . 0.0 112.92 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.49 -49.59 3.96 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 130.384 3.474 . . . . 0.0 115.55 167.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -71.06 -45.75 63.23 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.239 1.415 . . . . 0.0 110.321 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.94 67.72 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.521 1.128 . . . . 0.0 113.816 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.78 2.4 5.46 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.181 -1.574 . . . . 0.0 114.906 168.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -97.17 -39.99 9.01 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.057 -2.277 . . . . 0.0 108.848 166.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.18 -48.94 71.68 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.145 -1.597 . . . . 0.0 114.403 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.7 tp -92.74 103.19 15.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.984 -1.072 . . . . 0.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -90.7 -6.05 54.98 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -68.81 145.23 96.7 Favored Pre-proline 0 C--N 1.348 0.516 0 O-C-N 120.341 -1.475 . . . . 0.0 111.449 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.74 99.18 1.27 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.373 2.049 . . . . 0.0 113.385 -172.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 m -70.67 -68.99 0.39 Allowed 'General case' 0 C--N 1.35 0.613 0 C-N-CA 124.828 1.251 . . . . 0.0 113.454 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 -83.88 134.95 34.67 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 120.467 -1.396 . . . . 0.0 110.821 -177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 24.8 p -77.4 -29.75 53.24 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 125.52 1.528 . . . . 0.0 113.932 -172.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -100.94 146.2 27.68 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 123.556 1.646 . . . . 0.0 114.398 -172.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.98 119.9 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 128.244 2.618 . . . . 0.0 110.461 -170.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -125.16 128.48 48.45 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.383 -1.448 . . . . 0.0 111.606 -166.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 26.5 ttp-105 -100.61 -92.25 0.3 Allowed 'General case' 0 C--N 1.357 0.932 0 O-C-N 121.006 -1.059 . . . . 0.0 109.342 167.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 23.5 t -78.29 -161.65 0.29 Allowed 'General case' 0 C--N 1.349 0.564 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 154.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -84.99 88.58 7.46 Favored 'General case' 0 C--N 1.364 1.214 0 O-C-N 118.659 -2.526 . . . . 0.0 107.322 -168.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 56.9 mt -106.58 55.76 0.66 Allowed 'General case' 0 C--N 1.347 0.481 0 C-N-CA 125.013 1.325 . . . . 0.0 108.493 -175.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -140.33 -168.09 2.47 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.554 1.104 0 C-N-CA 128.625 2.77 . . . . 0.0 114.324 171.118 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.6 m120 . . . . . 0 N--CA 1.435 -1.196 0 CA-C-O 121.866 0.841 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -111.11 167.81 9.98 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.767 -1.208 . . . . 0.0 107.947 165.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -65.27 -13.78 59.18 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.733 -1.854 . . . . 0.0 114.092 167.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.46 -27.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 125.109 1.363 . . . . 0.0 111.492 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.98 -49.21 74.23 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.263 -1.523 . . . . 0.0 114.031 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 m -66.22 -41.72 89.68 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.089 1.356 . . . . 0.0 111.052 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -56.6 -55.47 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.566 1.146 . . . . 0.0 111.511 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -48.06 -46.23 33.29 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.93 1.692 . . . . 0.0 114.13 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -58.88 -59.94 4.65 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.382 1.473 . . . . 0.0 112.952 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -52.87 -47.61 52.0 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 126.402 1.881 . . . . 0.0 114.286 175.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.56 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.232 1.013 . . . . 0.0 111.134 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.5 m -55.44 -51.55 66.54 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.357 -1.464 . . . . 0.0 113.846 167.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.21 -30.78 41.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 119.846 -1.784 . . . . 0.0 111.262 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.23 -18.89 61.79 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 119.627 -1.921 . . . . 0.0 114.377 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.1 m -76.34 -57.62 3.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 123.215 1.483 . . . . 0.0 107.916 -169.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -20.78 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 129.659 3.184 . . . . 0.0 117.094 152.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 mt -52.39 -41.65 63.34 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.39 1.09 . . . . 0.0 113.592 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.41 -61.97 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 127.114 2.166 . . . . 0.0 109.823 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.35 -37.57 87.98 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.996 -1.69 . . . . 0.0 112.609 -164.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.35 -59.04 2.29 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 112.735 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.6 p -109.34 -11.28 14.87 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 60.09 -170.89 0.14 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 128.028 2.531 . . . . 0.0 117.255 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.34 -20.81 0.01 OUTLIER 'General case' 0 C--N 1.352 0.688 0 C-N-CA 130.396 3.478 . . . . 0.0 118.233 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.89 -51.77 66.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.15 -1.594 . . . . 0.0 113.549 170.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mt -83.56 -50.18 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 O-C-N 119.95 -1.719 . . . . 0.0 111.55 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -35.54 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 129.333 3.053 . . . . 0.0 116.002 164.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -39.2 -46.21 1.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.418 2.287 . . . . 0.0 117.084 169.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -98.5 122.95 42.34 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -165.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -58.09 -42.01 84.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.18 84.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -33.55 57.53 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 175.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -67.01 -59.88 3.1 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.069 -1.644 . . . . 0.0 111.76 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 34' ' ' ILE . 10.3 mt -30.84 -65.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.346 0.431 0 C-N-CA 128.459 2.703 . . . . 0.0 114.653 149.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.48 -33.01 63.31 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -42.11 60.04 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.635 1.174 . . . . 0.0 112.664 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.14 -35.99 81.95 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.142 -1.599 . . . . 0.0 111.743 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.38 -50.29 68.27 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 121.074 -1.016 . . . . 0.0 111.879 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.04 -54.88 2.18 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 128.058 2.543 . . . . 0.0 114.146 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.0 pt -87.65 -19.07 8.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.66 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.07 55.72 2.06 Favored Glycine 0 C--N 1.339 0.711 0 O-C-N 119.598 -1.939 . . . . 0.0 112.898 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 122.01 44.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 163.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -125.99 167.22 15.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.12 140.77 22.6 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 168.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.328 47.1 mt-10 75.43 8.87 3.79 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 122.997 2.635 . . . . 0.0 111.627 166.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.62 0.33 86.28 Favored Glycine 0 C--N 1.352 1.446 0 C-N-CA 126.313 1.911 . . . . 0.0 112.032 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.22 131.94 56.29 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 125.037 1.335 . . . . 0.0 110.7 -167.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -83.85 135.93 34.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.083 -1.635 . . . . 0.0 110.06 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.61 83.05 0.01 OUTLIER 'General case' 0 C--N 1.351 0.673 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -170.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -74.96 -177.19 3.22 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.921 -1.737 . . . . 0.0 112.607 161.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -65.9 -30.3 70.87 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.76 -53.67 25.39 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.791 -1.193 . . . . 0.0 111.283 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -55.57 -39.87 71.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 126.85 2.06 . . . . 0.0 112.53 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -61.45 2.57 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.161 1.385 . . . . 0.0 114.392 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -73.09 -25.41 60.87 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.321 -1.487 . . . . 0.0 111.916 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -50.63 -53.97 26.62 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -70.52 -15.99 19.46 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.34 -44.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 111.382 173.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -65.91 -63.32 1.11 Allowed 'General case' 0 C--O 1.237 0.443 0 C-N-CA 127.831 2.452 . . . . 0.0 114.639 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.57 75.38 9.1 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.844 2.259 . . . . 0.0 108.786 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 tp -131.31 140.4 49.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 112.83 -1.986 . . . . 0.0 107.402 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -67.62 143.46 56.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.182 1.393 . . . . 0.0 111.016 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -62.63 -43.4 98.9 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.609 -1.307 . . . . 0.0 112.734 173.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -60.34 -53.79 53.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 113.07 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.254 0.2 OUTLIER -81.28 -27.08 35.26 Favored 'General case' 0 C--N 1.364 1.226 0 O-C-N 121.065 -1.022 . . . . 0.0 113.607 -178.373 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -60.22 -34.61 73.9 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 122.256 2.298 . . . . 0.0 112.977 165.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -75.09 -26.4 59.27 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 121.002 -1.061 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . 0.272 28.5 p -55.51 -44.62 76.78 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.379 -1.45 . . . . 0.0 114.026 164.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.35 -46.49 90.01 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.978 -1.076 . . . . 0.0 112.079 172.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.66 -60.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.627 1.171 . . . . 0.0 112.905 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.01 -34.18 77.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.645 -1.91 . . . . 0.0 114.636 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -66.76 -56.5 10.21 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.703 -1.873 . . . . 0.0 112.403 172.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.59 70.55 0.75 Allowed 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.021 1.328 . . . . 0.0 110.509 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.59 -56.99 14.74 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.563 -1.335 . . . . 0.0 113.843 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.22 -26.7 59.14 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.68 4.25 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 120.274 -1.516 . . . . 0.0 113.592 -173.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.08 -56.17 8.54 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 119.879 -1.954 . . . . 0.0 110.396 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.78 -44.04 97.31 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.544 0.737 . . . . 0.0 111.747 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.72 -50.3 67.47 Favored Glycine 0 C--N 1.348 1.238 0 C-N-CA 123.847 0.737 . . . . 0.0 114.274 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.47 -43.18 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 O-C-N 119.078 -2.425 . . . . 0.0 111.145 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -36.79 85.51 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.301 -1.499 . . . . 0.0 112.404 -173.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -64.9 -49.1 71.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.777 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.16 -25.24 61.62 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 120.338 -1.476 . . . . 0.0 112.139 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.78 -36.84 78.79 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.222 -1.549 . . . . 0.0 114.319 167.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.3 -38.74 80.98 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.124 1.329 . . . . 0.0 111.507 169.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.0 ttp -68.61 -49.21 61.05 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.449 1.1 . . . . 0.0 113.795 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -80.22 -47.27 14.9 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.376 -1.453 . . . . 0.0 114.444 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.7 p -78.4 80.95 4.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.987 -1.696 . . . . 0.0 110.904 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -77.3 155.74 31.83 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.945 -1.722 . . . . 0.0 110.958 -172.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.0 pttt . . . . . 0 CA--C 1.517 -0.322 0 O-C-N 120.519 -1.363 . . . . 0.0 111.073 173.048 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.928 0.87 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 44.2 t -49.01 -49.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 C-N-CA 128.162 2.585 . . . . 0.0 113.454 172.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 2.2 mp -49.75 -48.3 50.29 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 126.014 1.726 . . . . 0.0 115.321 172.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.82 -34.33 52.03 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.911 -1.118 . . . . 0.0 111.439 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 130.2 -15.15 5.6 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.913 168.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.6 pp -91.96 131.71 37.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 123.368 1.556 . . . . 0.0 113.458 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 1.3 m -75.91 164.79 25.84 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.635 -1.916 . . . . 0.0 112.811 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.57 -48.32 1.41 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -57.29 -45.65 83.92 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.532 2.11 . . . . 0.0 111.511 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.47 -45.7 68.4 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 130.849 3.659 . . . . 0.0 111.788 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.88 82.08 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.107 1.432 . . . . 0.0 111.874 172.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.96 -44.23 77.21 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.754 1.621 . . . . 0.0 113.951 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.85 -25.0 37.32 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 119.781 -1.825 . . . . 0.0 113.019 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.37 -52.62 62.89 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 124.639 1.176 . . . . 0.0 111.218 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -72.41 -25.67 61.58 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 117.318 -1.325 . . . . 0.0 113.659 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 80.9 mtp -79.11 -54.85 5.58 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 123.66 2.936 . . . . 0.0 112.096 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -99.21 -56.48 2.41 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.217 1.407 . . . . 0.0 113.398 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.5 -26.61 66.43 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.633 -1.292 . . . . 0.0 112.96 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.35 38.56 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 117.077 1.591 . . . . 0.0 117.077 170.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.6 mt -106.15 128.88 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.585 2.193 . . . . 0.0 109.324 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.53 82.49 1.82 Allowed 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 120.79 -1.194 . . . . 0.0 112.49 -176.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -99.31 70.92 1.77 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.311 -1.493 . . . . 0.0 111.559 168.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.55 66.32 0.63 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 118.534 -2.604 . . . . 0.0 109.89 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 13.9 t -177.48 -179.69 0.86 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 125.596 1.559 . . . . 0.0 107.547 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -75.45 133.42 41.1 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 131.564 3.946 . . . . 0.0 111.8 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -128.86 156.81 43.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.865 0.84 . . . . 0.0 110.058 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 m -86.64 159.65 19.14 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.635 1.574 . . . . 0.0 109.022 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.67 -26.77 65.47 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.666 -1.897 . . . . 0.0 112.834 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.62 -55.94 27.68 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.43 1.892 . . . . 0.0 113.531 160.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.97 -43.88 94.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.161 2.184 . . . . 0.0 114.605 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 62.1 t -46.13 -50.23 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.753 1.221 . . . . 0.0 113.719 167.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -70.28 -36.51 70.57 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 120.803 -1.186 . . . . 0.0 113.912 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -79.01 -20.93 47.8 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 121.161 -1.199 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -77.02 -14.02 59.88 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.874 -1.766 . . . . 0.0 112.151 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.95 -67.35 0.61 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.053 1.741 . . . . 0.0 111.663 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -8.46 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 139.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.75 -64.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.743 0 C-N-CA 124.672 1.189 . . . . 0.0 112.382 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 9.5 m -41.85 -45.71 3.75 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 167.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -62.76 -45.12 94.18 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.224 -2.172 . . . . 0.0 112.143 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -50.01 -54.65 18.76 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.364 1.065 . . . . 0.0 111.874 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -56.5 -40.29 74.72 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.01 -39.04 80.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.952 -1.717 . . . . 0.0 110.718 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -74.86 -15.56 60.71 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.14 -2.225 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -79.16 -34.67 42.96 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.409 -1.432 . . . . 0.0 112.402 166.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.77 -46.65 79.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.641 -1.912 . . . . 0.0 112.835 167.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.252 2.221 . . . . 0.0 112.294 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.76 -47.43 20.76 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -79.35 -42.16 26.25 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.755 -0.59 . . . . 0.0 110.172 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.57 87.48 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.744 -1.222 . . . . 0.0 113.531 -177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.16 -5.56 45.02 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.957 1.703 . . . . 0.0 115.213 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -98.35 -34.81 10.53 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.976 1.71 . . . . 0.0 109.048 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.02 -36.97 67.08 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.247 -1.533 . . . . 0.0 114.198 171.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.0 tp -85.51 100.63 12.04 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.787 -1.196 . . . . 0.0 111.641 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -100.16 0.67 41.0 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 121.064 -1.023 . . . . 0.0 113.072 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -84.96 108.72 16.34 Favored Pre-proline 0 C--N 1.351 0.664 0 O-C-N 120.119 -1.613 . . . . 0.0 110.623 172.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.28 162.19 31.38 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.182 1.922 . . . . 0.0 114.117 -158.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 45.2 t -153.84 -54.84 0.11 Allowed 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.868 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.84 125.74 31.66 Favored 'General case' 0 C--N 1.364 1.223 0 CA-C-O 121.951 0.881 . . . . 0.0 109.385 -171.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 66.8 m -95.47 -58.65 2.07 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.605 1.162 . . . . 0.0 108.872 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -100.43 160.17 14.55 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -164.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 3.2 p -80.92 103.11 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 123.314 1.531 . . . . 0.0 112.233 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 62.9 tp -147.34 109.15 4.4 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 119.599 -1.938 . . . . 0.0 108.221 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -166.98 -115.34 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 1.9 m -160.71 -63.58 0.06 Allowed 'General case' 0 CA--C 1.503 -0.856 0 O-C-N 120.123 -1.611 . . . . 0.0 110.071 172.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -88.81 79.04 7.5 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.147 -0.971 . . . . 0.0 109.622 -168.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 9.8 mt -107.48 61.11 0.62 Allowed 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 119.413 -2.054 . . . . 0.0 110.335 -160.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -84.26 3.32 35.96 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.63 -1.294 . . . . 0.0 111.429 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--N 1.362 1.149 0 C-N-CA 130.451 3.5 . . . . 0.0 113.16 -175.375 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 122.489 1.138 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -115.71 136.28 53.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 122.47 1.129 . . . . 0.0 111.825 -168.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -82.95 -31.72 27.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 120.913 -1.117 . . . . 0.0 109.087 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.01 -26.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 O-C-N 121.606 -0.684 . . . . 0.0 111.839 -167.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.5 -55.61 20.87 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 126.373 1.869 . . . . 0.0 112.624 168.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m -64.48 -43.19 94.93 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.758 1.623 . . . . 0.0 112.835 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -54.8 -53.14 35.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.703 1.601 . . . . 0.0 110.388 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -47.27 -40.39 16.59 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 126.988 2.115 . . . . 0.0 115.276 171.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.35 -58.18 5.86 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.815 -1.178 . . . . 0.0 110.166 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.41 -51.48 4.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 127.519 2.328 . . . . 0.0 113.13 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.84 -54.89 29.02 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 C-N-CA 124.945 1.298 . . . . 0.0 111.623 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.5 m -52.52 -49.6 64.49 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.149 1.379 . . . . 0.0 113.503 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -79.12 -17.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.851 1.31 . . . . 0.0 114.1 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.08 -16.25 30.06 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 119.751 -1.843 . . . . 0.0 111.148 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 t -74.42 -51.89 13.63 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.2 mt -30.68 -56.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 128.216 2.606 . . . . 0.0 114.831 162.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.62 -43.25 84.62 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.311 -1.493 . . . . 0.0 113.814 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.3 mm -61.46 -59.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 126.39 1.876 . . . . 0.0 109.533 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.49 -35.02 78.02 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.371 1.558 . . . . 0.0 112.01 -163.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -97.64 -59.54 1.75 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.712 1.605 . . . . 0.0 111.213 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -104.58 -6.53 20.44 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.753 -1.217 . . . . 0.0 113.354 -166.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 61.46 -140.7 0.49 Allowed 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -85.16 -8.42 58.61 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.365 -1.46 . . . . 0.0 112.646 -161.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -49.62 -62.04 1.78 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 129.017 2.927 . . . . 0.0 112.836 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -95.78 -27.72 4.05 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 120.15 -1.594 . . . . 0.0 112.084 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -54.96 -40.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 127.446 2.299 . . . . 0.0 114.986 167.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.71 -36.23 71.73 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.921 1.819 . . . . 0.0 113.106 173.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -79.88 99.41 7.54 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.341 -1.754 . . . . 0.0 108.929 -163.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -58.73 -42.71 89.4 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -172.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.25 -39.54 32.83 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 120.631 -1.293 . . . . 0.0 112.358 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.8 -42.71 72.14 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.909 1.284 . . . . 0.0 113.097 174.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -58.21 -57.88 10.92 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.04 1.736 . . . . 0.0 114.632 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -38.25 -63.55 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 129.665 3.186 . . . . 0.0 113.024 153.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -34.18 60.32 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 118.554 -2.591 . . . . 0.0 115.664 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -39.89 95.11 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 126.798 2.039 . . . . 0.0 112.58 177.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.03 -38.95 86.82 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.861 1.315 . . . . 0.0 112.34 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -74.23 -39.77 62.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 120.218 -1.551 . . . . 0.0 111.523 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -34.68 -58.57 0.5 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.765 2.426 . . . . 0.0 116.914 171.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -88.7 -13.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 121.507 0.67 . . . . 0.0 110.368 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.81 66.41 2.06 Favored Glycine 0 CA--C 1.494 -1.224 0 O-C-N 120.681 -1.262 . . . . 0.0 114.194 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -80.48 113.03 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 160.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -121.42 -173.8 2.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.323 1.874 . . . . 0.0 110.158 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -166.83 126.79 1.53 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 102.834 -3.025 . . . . 0.0 102.834 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.47 55.2 mt-10 80.5 -12.2 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 CA-C-N 125.841 3.928 . . . . 0.0 114.235 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.63 12.7 68.83 Favored Glycine 0 C--N 1.349 1.251 0 C-N-CA 124.154 0.883 . . . . 0.0 111.008 -163.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -90.48 137.92 31.97 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 122.563 1.173 . . . . 0.0 111.742 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.38 143.77 38.44 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.731 1.213 . . . . 0.0 109.503 157.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.55 92.96 6.9 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.039 -1.663 . . . . 0.0 109.436 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -75.71 175.92 8.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.734 -1.229 . . . . 0.0 109.777 160.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -43.14 -44.01 4.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -55.11 -62.47 1.64 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.33 1.852 . . . . 0.0 113.758 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -64.68 -35.72 81.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 O-C-N 121.019 -1.051 . . . . 0.0 112.692 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.96 -46.93 88.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.998 0.919 . . . . 0.0 112.688 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.71 -36.38 65.22 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.335 -1.478 . . . . 0.0 110.505 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -58.59 -46.09 87.7 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.541 1.536 . . . . 0.0 114.843 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.75 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 O-C-N 120.774 -1.204 . . . . 0.0 113.743 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.0 t -60.74 -42.6 92.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 126.682 1.993 . . . . 0.0 113.624 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.3 t -57.85 -52.92 63.51 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 119.726 -1.859 . . . . 0.0 114.393 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -87.47 8.17 26.01 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.806 1.184 . . . . 0.0 113.456 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tt -57.74 129.45 41.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.078 -1.639 . . . . 0.0 113.211 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -68.73 142.57 54.95 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 126.231 1.812 . . . . 0.0 113.288 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.51 -53.94 49.75 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.628 1.171 . . . . 0.0 112.578 -168.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -58.21 -37.88 75.68 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -78.56 -39.3 38.13 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.495 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.266 4.6 pttm -62.28 -35.46 79.08 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 123.009 2.64 . . . . 0.0 112.838 173.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.65 -45.01 72.9 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 122.236 1.017 . . . . 0.0 109.938 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.9 m -54.91 -38.12 67.23 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.828 2.051 . . . . 0.0 115.014 170.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.79 -42.04 97.82 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.701 -1.874 . . . . 0.0 111.375 172.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.34 -59.28 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.591 1.156 . . . . 0.0 112.379 167.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.62 -12.24 43.59 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 126.424 1.889 . . . . 0.0 114.71 -175.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.5 -61.54 2.42 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.937 -1.102 . . . . 0.0 111.91 162.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.325 0.0 OUTLIER 143.92 -19.29 0.0 OUTLIER 'General case' 0 C--N 1.361 1.069 0 C-N-CA 128.876 2.87 . . . . 0.0 114.624 172.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.49 127.58 28.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 -163.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.87 -27.43 68.79 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.33 1.852 . . . . 0.0 113.301 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.92 -18.28 59.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.385 -1.447 . . . . 0.0 111.046 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -72.6 -60.4 2.25 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 121.366 -1.079 . . . . 0.0 108.964 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -59.38 -31.84 69.59 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.121 -0.987 . . . . 0.0 113.516 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.0 -61.26 5.87 Favored Glycine 0 C--N 1.351 1.41 0 C-N-CA 125.609 1.576 . . . . 0.0 114.349 167.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.68 -41.0 71.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 CA-C-N 120.699 2.25 . . . . 0.0 111.74 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.06 -65.37 0.3 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.92 1.688 . . . . 0.0 114.25 166.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -63.71 -35.63 81.19 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -81.32 -30.76 33.77 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.413 -1.43 . . . . 0.0 112.146 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.7 tp -56.17 -50.16 71.96 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.382 1.473 . . . . 0.0 112.695 171.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -56.64 -48.19 78.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.064 1.346 . . . . 0.0 112.516 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 46.6 ttp -69.91 -58.05 4.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.022 1.329 . . . . 0.0 113.209 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -77.1 -38.17 52.8 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.542 -1.349 . . . . 0.0 114.485 -173.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.7 p -90.53 125.06 35.49 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.21 -1.556 . . . . 0.0 113.411 -168.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -104.9 164.69 11.6 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 167.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.452 -0.37 0 O-C-N 119.789 -1.819 . . . . 0.0 112.671 177.384 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 29.5 t -76.76 -35.29 24.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 112.71 168.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 28.6 tp -69.03 -65.54 0.69 Allowed 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.617 -1.302 . . . . 0.0 112.435 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -31.8 -59.14 0.27 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 149.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 80.08 42.62 10.6 Favored Glycine 0 C--N 1.346 1.084 0 C-N-CA 126.085 1.803 . . . . 0.0 112.254 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.8 pp -127.45 157.59 39.63 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.955 2.378 . . . . 0.0 104.698 -168.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.8 m -87.49 146.62 25.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.895 0.855 . . . . 0.0 111.211 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.8 57.74 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.359 -2.088 . . . . 0.0 114.058 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -69.05 -29.38 67.51 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.818 -1.176 . . . . 0.0 113.392 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.92 -42.85 69.34 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.398 1.479 . . . . 0.0 110.16 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.03 89.57 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.597 1.159 . . . . 0.0 112.266 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -49.94 -67.49 0.26 Allowed 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.931 1.292 . . . . 0.0 114.054 166.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.0 p -68.03 -22.58 27.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.146 0 O-C-N 119.941 -1.725 . . . . 0.0 114.598 -173.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.68 -51.99 67.02 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 125.497 1.519 . . . . 0.0 110.591 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -77.03 -20.86 55.41 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 74.2 mtm -75.18 -56.64 4.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 123.348 2.794 . . . . 0.0 114.419 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -104.21 -47.45 4.14 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.564 -1.335 . . . . 0.0 114.278 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -70.07 -26.5 64.03 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.835 -1.165 . . . . 0.0 111.927 -173.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.14 35.21 39.03 Favored Glycine 0 CA--C 1.496 -1.094 0 C-N-CA 125.037 1.303 . . . . 0.0 113.143 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -117.36 124.92 73.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 171.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.3 111.97 20.37 Favored 'General case' 0 N--CA 1.443 -0.801 0 O-C-N 120.7 -1.25 . . . . 0.0 113.036 -170.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 51.0 mtt -115.52 55.3 0.78 Allowed 'General case' 0 C--N 1.368 1.37 0 CA-C-N 120.118 1.326 . . . . 0.0 109.05 168.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -113.34 -39.39 4.14 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -165.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 74.7 p -74.53 -122.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 123.899 1.809 . . . . 0.0 115.538 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -110.45 117.14 32.77 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 129.062 2.945 . . . . 0.0 104.633 171.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.3 150.08 40.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -169.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.1 p -117.08 172.86 7.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.307 1.443 . . . . 0.0 110.234 -174.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.6 pp -45.12 -40.85 7.34 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 157.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -74.76 -50.62 16.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.591 1.556 . . . . 0.0 111.126 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . 0.334 5.5 mt-10 -63.93 -37.18 86.46 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 34.2 m -54.94 -44.12 71.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 122.385 2.357 . . . . 0.0 113.283 169.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.49 -38.58 96.57 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 124.581 1.086 . . . . 0.0 112.753 176.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -71.6 -37.99 70.92 Favored 'General case' 0 C--N 1.369 1.431 0 CA-C-O 123.037 1.399 . . . . 0.0 107.722 -172.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -72.46 -27.19 62.15 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.836 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -54.81 42.58 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.07 1.304 . . . . 0.0 112.919 168.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -60.66 2.61 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 116.932 2.197 . . . . 0.0 116.932 163.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.58 -61.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 126.275 1.83 . . . . 0.0 112.989 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.44 -36.46 6.58 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 118.221 2.674 . . . . 0.0 118.221 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -70.04 -38.68 75.91 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 121.112 1.778 . . . . 0.0 110.058 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -62.56 -49.2 76.23 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.648 -1.16 . . . . 0.0 113.346 171.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -63.18 -32.65 74.1 Favored 'General case' 0 C--N 1.361 1.096 0 O-C-N 120.305 -1.497 . . . . 0.0 112.017 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 10.1 mt -58.99 -42.1 85.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 O-C-N 119.523 -1.986 . . . . 0.0 111.302 167.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -73.13 -17.78 61.36 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 123.034 2.652 . . . . 0.0 111.08 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.89 -42.72 60.28 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.102 -1.624 . . . . 0.0 111.886 168.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.99 -49.64 37.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 C-N-CA 125.268 1.427 . . . . 0.0 113.072 163.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.48 -51.83 65.66 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 125.558 1.543 . . . . 0.0 112.346 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.83 20.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.711 1.604 . . . . 0.0 114.727 170.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -76.16 -19.15 58.73 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.095 -1.628 . . . . 0.0 112.312 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -82.44 -38.71 23.61 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.167 1.387 . . . . 0.0 110.629 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.55 -9.42 58.66 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.124 -1.61 . . . . 0.0 114.439 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.5 mtm105 -88.26 -24.29 23.26 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.192 -1.568 . . . . 0.0 110.395 167.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -77.94 -40.93 37.99 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.051 -1.656 . . . . 0.0 113.964 165.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.2 tp -82.56 72.17 9.63 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-O 123.38 1.562 . . . . 0.0 110.984 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -67.3 -41.77 84.83 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 125.595 1.558 . . . . 0.0 113.174 170.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -47.71 108.71 0.95 Allowed Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 114.833 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -82.64 96.26 0.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 CA-C-N 121.642 1.622 . . . . 0.0 112.893 -162.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 65.0 p -108.58 53.53 0.68 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.089 0.956 . . . . 0.0 109.438 167.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -88.84 101.08 13.68 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.819 1.295 . . . . 0.0 110.695 -173.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 42.2 m -88.24 -27.17 21.94 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 121.101 -0.999 . . . . 0.0 110.874 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 48.7 mp0 -79.86 163.15 24.59 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -153.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 2.9 t -97.31 57.14 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 O-C-N 119.849 -1.782 . . . . 0.0 112.248 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 72.8 mt -103.44 19.97 18.72 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 118.54 -2.6 . . . . 0.0 109.061 -173.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -73.18 2.04 8.05 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 49.1 m -76.67 -22.06 54.53 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 121.234 -0.916 . . . . 0.0 110.482 164.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.68 -90.86 0.43 Allowed 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.891 2.476 . . . . 0.0 106.555 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . 0.528 ' H ' HD23 ' B' ' 611' ' ' LEU . 2.6 pt? -95.05 133.6 38.67 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 124.397 3.271 . . . . 0.0 116.044 -166.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -74.78 -62.43 1.54 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.491 2.316 . . . . 0.0 115.835 172.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 51.4 t0 . . . . . 0 CA--C 1.556 1.209 0 C-N-CA 125.282 1.433 . . . . 0.0 110.759 -169.402 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 N--CA 1.442 -0.862 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -94.11 172.26 8.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 128.929 2.892 . . . . 0.0 108.43 168.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -60.46 -30.94 69.99 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.844 -1.785 . . . . 0.0 112.117 173.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.18 -37.79 80.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 124.183 0.993 . . . . 0.0 111.135 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.573 1.149 . . . . 0.0 112.996 173.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -64.25 -43.16 95.75 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.901 -1.75 . . . . 0.0 110.751 170.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.61 -50.91 77.4 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 125.135 1.374 . . . . 0.0 111.1 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -49.2 -41.04 35.67 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 126.387 1.875 . . . . 0.0 114.834 169.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -65.07 -51.19 62.88 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 120.992 -1.067 . . . . 0.0 111.638 171.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -48.08 -47.16 13.11 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 124.655 1.182 . . . . 0.0 113.265 171.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.04 -55.14 23.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 120.939 -1.101 . . . . 0.0 109.762 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.1 m -53.68 -51.64 62.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 126.281 1.832 . . . . 0.0 112.973 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -77.07 -27.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 O-C-N 120.546 -1.346 . . . . 0.0 111.586 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.52 69.94 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 119.137 -2.227 . . . . 0.0 111.457 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -67.65 -32.94 73.96 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 125.37 2.509 . . . . 0.0 108.962 -169.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.86 -57.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 130.923 3.689 . . . . 0.0 110.774 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.96 -47.54 74.37 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 123.388 1.566 . . . . 0.0 113.187 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.46 -64.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.795 0 C-N-CA 126.498 1.919 . . . . 0.0 112.474 175.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.36 -19.48 59.55 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 118.075 -2.89 . . . . 0.0 114.301 -164.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -88.58 -52.11 5.34 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.662 0.785 . . . . 0.0 111.61 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -101.11 16.52 25.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 120.14 -1.6 . . . . 0.0 109.619 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.297 2.4 ttm180 46.29 -105.75 0.12 Allowed 'General case' 0 C--N 1.362 1.12 0 CA-C-N 120.439 1.472 . . . . 0.0 113.797 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.94 -4.08 9.63 Favored 'General case' 0 N--CA 1.42 -1.934 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -172.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -60.03 -43.59 95.22 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -166.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 pt -92.95 -22.55 5.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 O-C-N 118.22 -2.8 . . . . 0.0 112.105 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.0 -43.37 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 C-N-CA 127.413 2.285 . . . . 0.0 114.082 -163.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -46.38 -55.24 7.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 131.69 3.996 . . . . 0.0 113.992 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -65.22 102.76 0.69 Allowed 'General case' 0 C--N 1.354 0.773 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.958 -170.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -61.26 -47.46 85.95 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.058 -1.651 . . . . 0.0 115.251 -163.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.57 74.33 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.238 -1.539 . . . . 0.0 113.448 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.13 72.46 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.485 -1.384 . . . . 0.0 113.071 171.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.88 -54.03 47.62 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.089 -1.632 . . . . 0.0 113.833 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -40.72 -62.25 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 130.44 3.496 . . . . 0.0 113.61 156.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.78 69.1 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 119.212 -2.18 . . . . 0.0 116.023 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.35 -35.51 79.52 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 123.766 0.827 . . . . 0.0 110.939 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.23 -41.43 90.09 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.849 -1.157 . . . . 0.0 111.288 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -69.08 -51.99 33.02 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.298 -1.501 . . . . 0.0 110.65 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -25.98 -55.0 0.06 Allowed 'General case' 0 C--N 1.349 0.573 0 C-N-CA 129.511 3.124 . . . . 0.0 118.371 169.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.8 -3.94 10.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 120.441 -1.412 . . . . 0.0 113.177 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 57.86 2.26 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 120.406 -1.434 . . . . 0.0 114.446 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -99.42 100.63 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.9 p -125.81 -166.84 1.61 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.755 1.264 . . . . 0.0 108.991 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -173.9 129.9 0.4 Allowed 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 173.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.447 45.5 mt-10 63.3 13.98 7.45 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.122 -2.236 . . . . 0.0 115.371 -169.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.86 -38.71 3.0 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -61.07 107.91 0.8 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.894 0.878 . . . . 0.0 112.897 -171.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 146.18 54.87 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 119.36 -2.087 . . . . 0.0 110.103 171.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.05 86.6 3.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 120.122 -1.611 . . . . 0.0 114.512 -158.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -75.9 168.99 19.01 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.535 1.134 . . . . 0.0 107.975 166.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.96 -24.44 66.8 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 120.567 -1.333 . . . . 0.0 114.188 -164.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -61.04 -58.03 10.12 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.521 -1.362 . . . . 0.0 112.936 165.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -67.54 -36.06 80.26 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 128.117 2.567 . . . . 0.0 112.881 -172.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -59.43 -49.88 76.09 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.535 1.134 . . . . 0.0 112.483 171.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -79.23 -30.65 43.32 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.221 -1.549 . . . . 0.0 113.59 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -50.29 -33.98 21.85 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.389 1.075 . . . . 0.0 113.78 166.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 28.9 pt -87.34 -62.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 116.563 -1.684 . . . . 0.0 113.605 165.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.86 -25.08 21.72 Favored 'Isoleucine or valine' 0 C--N 1.382 2.012 0 CA-C-N 123.288 2.767 . . . . 0.0 111.329 -150.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -91.82 -21.04 20.87 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.085 -1.009 . . . . 0.0 112.602 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.1 77.13 5.35 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 124.043 1.878 . . . . 0.0 108.97 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.2 mt -115.78 142.38 46.84 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 126.908 2.083 . . . . 0.0 106.613 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -82.97 160.91 21.93 Favored 'General case' 0 C--N 1.342 0.273 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -77.05 -37.78 54.05 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.39 -2.069 . . . . 0.0 113.25 -167.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.26 -53.74 52.28 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 126.04 1.736 . . . . 0.0 113.593 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -46.12 -63.16 1.05 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 129.387 3.075 . . . . 0.0 115.513 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -51.1 -47.54 61.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 128.338 2.655 . . . . 0.0 114.28 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.12 -38.04 87.19 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 124.322 2.011 . . . . 0.0 107.879 -170.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -59.9 -44.75 94.07 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.956 2.103 . . . . 0.0 112.951 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.86 -32.11 72.43 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.86 -1.775 . . . . 0.0 113.622 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.64 -54.36 26.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.574 1.55 . . . . 0.0 111.024 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -39.14 68.04 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.031 1.732 . . . . 0.0 115.013 172.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.17 -50.76 13.7 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.816 -1.178 . . . . 0.0 113.683 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -116.73 74.93 0.93 Allowed 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.535 -1.353 . . . . 0.0 110.587 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -64.42 -45.84 85.82 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 120.205 -1.559 . . . . 0.0 113.188 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.91 -22.35 24.43 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.521 -0.737 . . . . 0.0 111.578 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.13 -33.65 14.31 Favored Glycine 0 C--N 1.357 1.714 0 O-C-N 119.614 -1.929 . . . . 0.0 113.202 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.63 -48.09 61.16 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.957 -1.319 . . . . 0.0 109.981 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.58 -43.49 84.61 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.995 1.318 . . . . 0.0 114.056 168.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.87 60.6 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 125.89 1.71 . . . . 0.0 114.554 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.48 -53.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 124.826 1.25 . . . . 0.0 113.024 173.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -28.85 -63.08 0.11 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.321 2.249 . . . . 0.0 115.654 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -57.38 -38.21 73.87 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.282 1.7 p90 -80.43 -31.25 37.61 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.844 -1.785 . . . . 0.0 112.137 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.29 -55.13 31.23 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.85 -1.156 . . . . 0.0 112.156 173.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.27 -37.66 83.94 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.584 1.154 . . . . 0.0 113.528 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.0 -63.6 1.07 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.215 1.006 . . . . 0.0 113.546 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.45 -32.88 28.74 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.756 -1.215 . . . . 0.0 113.807 -169.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 p -98.82 87.37 3.73 Favored 'General case' 0 CA--C 1.504 -0.793 0 O-C-N 120.713 -1.242 . . . . 0.0 112.197 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.77 124.5 30.96 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -169.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm . . . . . 0 C--N 1.364 1.236 0 C-N-CA 128.097 2.559 . . . . 0.0 109.658 170.448 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.261 2.1 p30 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.22 -45.74 13.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 168.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.57 -50.03 73.13 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.099 -1.626 . . . . 0.0 114.071 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -73.13 -37.02 66.8 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.014 -1.054 . . . . 0.0 113.114 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.77 -18.93 7.07 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 120.248 -1.533 . . . . 0.0 113.417 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.12 134.72 41.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.601 1.56 . . . . 0.0 111.833 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 7.6 p -88.91 178.22 6.48 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 124.077 1.894 . . . . 0.0 115.729 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -46.69 -23.33 0.4 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.35 2.26 . . . . 0.0 116.805 156.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -71.17 -54.2 11.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.898 1.809 . . . . 0.0 111.295 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -54.3 -45.79 72.63 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.927 2.091 . . . . 0.0 113.273 172.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.3 -28.11 69.79 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.284 1.034 . . . . 0.0 113.255 174.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -70.43 -44.88 66.98 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.009 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.12 -47.29 93.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 CA-C-O 122.706 1.241 . . . . 0.0 111.682 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 69.2 mt -53.48 -36.0 61.2 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.875 2.07 . . . . 0.0 113.729 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 32.1 tpt85 -66.39 -39.49 89.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 125.339 2.495 . . . . 0.0 111.527 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.8 mtt -101.6 -62.75 1.22 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 111.122 -2.763 . . . . 0.0 112.005 -162.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -81.85 -46.15 14.54 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.085 0.945 . . . . 0.0 110.307 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.31 -31.31 63.95 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.2 47.14 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 125.218 1.389 . . . . 0.0 113.487 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 97.4 mt -107.7 132.05 56.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 119.071 1.435 . . . . 0.0 107.901 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -80.11 99.9 7.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.964 1.306 . . . . 0.0 112.74 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.6 mtp -113.61 38.85 2.8 Favored 'General case' 0 C--N 1.369 1.446 0 O-C-N 119.965 -1.709 . . . . 0.0 110.463 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -107.82 -10.86 15.49 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.981 1.312 . . . . 0.0 112.127 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 57.4 p -84.85 -175.02 5.59 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 123.129 1.442 . . . . 0.0 111.887 172.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.12 125.73 24.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.242 2.217 . . . . 0.0 112.035 160.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -119.16 118.47 31.45 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.656 1.183 . . . . 0.0 107.915 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 67.3 p -79.8 169.34 18.07 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.783 167.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.52 -26.55 58.16 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.154 -1.591 . . . . 0.0 112.27 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.44 -35.6 73.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.158 -1.589 . . . . 0.0 111.885 166.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.75 -39.03 84.22 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 119.386 -2.071 . . . . 0.0 114.209 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.23 -53.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.671 -1.268 . . . . 0.0 112.29 161.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.75 73.43 Favored Glycine 0 C--N 1.353 1.527 0 C-N-CA 125.205 1.383 . . . . 0.0 115.406 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -67.45 -38.22 84.16 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.219 -1.754 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -69.43 -19.33 63.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.736 -1.227 . . . . 0.0 112.19 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.12 -53.48 37.33 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.669 -1.27 . . . . 0.0 110.945 170.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.49 -26.55 60.08 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.193 -1.567 . . . . 0.0 112.695 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.08 -50.96 33.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 123.799 0.84 . . . . 0.0 112.141 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . 0.256 1.5 t -57.59 -36.01 71.15 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 118.753 -2.467 . . . . 0.0 116.184 167.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -59.93 -45.8 91.43 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.78 -1.825 . . . . 0.0 112.022 169.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -50.38 -55.1 17.17 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.817 1.247 . . . . 0.0 113.709 165.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -51.31 -42.52 61.24 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.054 -1.029 . . . . 0.0 113.427 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.1 -38.76 76.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 121.175 1.807 . . . . 0.0 112.858 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -69.32 -25.59 64.29 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.852 -1.78 . . . . 0.0 110.904 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -78.23 -14.29 59.5 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 119.839 -1.788 . . . . 0.0 111.795 170.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.0 mt -76.28 -40.46 35.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 O-C-N 118.515 -2.616 . . . . 0.0 107.496 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.74 -39.97 90.66 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 126.698 1.999 . . . . 0.0 110.936 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -37.26 -52.4 1.06 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 166.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -87.08 -31.96 20.2 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.339 1.543 . . . . 0.0 111.055 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.86 80.09 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.002 -1.061 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -77.98 12.28 1.86 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 163.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -97.89 -43.58 7.05 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 119.778 -1.826 . . . . 0.0 106.667 160.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -65.27 -47.28 77.23 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.369 -1.457 . . . . 0.0 114.094 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 16.2 tp -85.89 99.1 11.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.216 -0.928 . . . . 0.0 109.657 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -80.28 -26.78 38.74 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.238 1.415 . . . . 0.0 111.724 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -54.92 146.44 37.83 Favored Pre-proline 0 C--N 1.355 0.807 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -60.22 109.95 0.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.29 1.994 . . . . 0.0 114.592 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 10.9 p -90.98 -67.58 0.84 Allowed 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.884 1.273 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -122.14 148.18 45.23 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 130.545 3.538 . . . . 0.0 103.658 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 34.5 p -99.79 -31.89 11.3 Favored 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 119.87 -1.769 . . . . 0.0 112.121 -174.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.41 166.77 14.58 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 122.929 1.347 . . . . 0.0 113.713 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 20.6 t -91.05 82.17 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 123.348 1.547 . . . . 0.0 109.521 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 7.6 tp -86.46 43.53 1.08 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 124.082 1.896 . . . . 0.0 113.158 -170.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -143.57 -12.2 0.69 Allowed 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.962 2.105 . . . . 0.0 108.922 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 15.7 t -79.66 88.22 5.17 Favored 'General case' 0 C--N 1.362 1.125 0 O-C-N 120.42 -1.425 . . . . 0.0 110.284 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 18.63 50.6 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 121.42 3.859 . . . . 0.0 121.42 177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . 0.601 ' H ' HD23 ' B' ' 611' ' ' LEU . 0.3 OUTLIER -50.85 100.53 0.03 OUTLIER 'General case' 0 C--N 1.344 0.343 0 C-N-CA 129.524 3.13 . . . . 0.0 112.286 153.159 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . 0.25 57.4 m-20 80.77 -99.37 0.01 OUTLIER 'General case' 0 C--N 1.352 0.71 0 C-N-CA 127.174 2.189 . . . . 0.0 111.048 -172.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 CA--C 1.549 0.93 0 C-N-CA 124.267 1.027 . . . . 0.0 112.532 -176.668 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -102.06 165.88 10.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.377 2.671 . . . . 0.0 104.653 165.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -60.3 -23.31 64.09 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.523 -1.986 . . . . 0.0 114.302 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.98 -36.57 51.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 120.791 -1.193 . . . . 0.0 111.471 -171.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.61 -49.74 45.62 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 127.142 2.177 . . . . 0.0 115.212 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -71.28 -39.49 71.51 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.607 -1.308 . . . . 0.0 111.256 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -57.38 -52.43 56.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.009 -1.057 . . . . 0.0 112.041 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -53.1 -39.35 63.34 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.977 -1.702 . . . . 0.0 114.481 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -61.56 -55.06 35.05 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 125.303 1.441 . . . . 0.0 112.164 172.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.01 -49.51 15.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 C-N-CA 127.296 2.238 . . . . 0.0 113.736 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.75 -51.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.584 1.154 . . . . 0.0 110.896 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.2 m -56.75 -51.52 68.56 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.751 1.22 . . . . 0.0 113.019 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.04 -22.56 15.82 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.656 -1.278 . . . . 0.0 112.452 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.75 60.2 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 119.781 -1.825 . . . . 0.0 112.387 167.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 m -80.77 -49.84 10.62 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mt -32.67 -52.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 130.151 3.38 . . . . 0.0 114.777 162.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.37 -45.04 80.68 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 122.741 1.257 . . . . 0.0 113.151 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.4 mm -68.66 -57.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 125.799 1.64 . . . . 0.0 109.297 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -73.74 -40.05 63.81 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.224 -2.173 . . . . 0.0 111.702 -160.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -73.75 -52.55 12.82 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.577 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -110.89 -27.81 8.65 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.35 -1.469 . . . . 0.0 113.98 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.492 28.8 mmt180 87.92 -115.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.999 2.519 . . . . 0.0 113.987 -174.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -99.05 17.27 20.16 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.714 -1.241 . . . . 0.0 114.17 -167.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -71.45 -63.64 1.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -79.82 -32.94 14.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.259 -1.526 . . . . 0.0 108.63 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.43 -47.44 58.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.695 1.598 . . . . 0.0 113.512 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.8 -58.61 7.37 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -73.58 118.62 16.76 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.844 -164.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -69.4 -41.12 76.84 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.777 -1.202 . . . . 0.0 114.07 -163.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.88 70.22 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.709 0.804 . . . . 0.0 110.992 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.99 -33.26 70.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.933 1.693 . . . . 0.0 114.761 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -68.02 -61.75 1.72 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.717 1.207 . . . . 0.0 112.922 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.6 mt -35.01 -61.01 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 129.551 3.14 . . . . 0.0 114.147 148.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.38 51.27 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 118.386 -2.696 . . . . 0.0 115.935 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -41.05 68.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 126.014 1.726 . . . . 0.0 110.879 -178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.0 mt -64.18 -48.84 74.4 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-O 121.682 0.753 . . . . 0.0 110.557 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.27 -53.33 58.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.439 1.496 . . . . 0.0 114.07 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -43.06 -51.72 5.65 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 118.218 2.673 . . . . 0.0 118.218 167.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.97 -5.18 9.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 120.196 -1.565 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.65 48.72 7.04 Favored Glycine 0 CA--C 1.495 -1.17 0 O-C-N 121.06 -1.025 . . . . 0.0 113.683 170.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -80.12 118.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 165.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.4 p -153.3 130.74 11.36 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 123.536 0.734 . . . . 0.0 110.884 -173.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -111.91 143.36 43.0 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.63 -1.294 . . . . 0.0 110.988 170.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 54.42 22.22 3.71 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.045 1.738 . . . . 0.0 114.909 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.3 -7.48 75.52 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 119.7 -1.875 . . . . 0.0 114.917 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -101.86 135.69 42.98 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 118.378 1.089 . . . . 0.0 110.23 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -77.08 128.43 34.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 120.563 -1.336 . . . . 0.0 110.239 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.328 0.7 OUTLIER -79.12 98.27 6.48 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 119.33 -2.106 . . . . 0.0 116.145 -172.001 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -71.33 179.4 2.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.729 153.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -57.79 -35.8 71.3 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.18 -55.83 27.68 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.837 -1.165 . . . . 0.0 113.651 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.3 t -63.63 -43.54 96.52 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.968 0.907 . . . . 0.0 112.56 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.77 -52.0 61.61 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 125.82 1.648 . . . . 0.0 113.854 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -77.36 -33.46 55.29 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.625 -1.297 . . . . 0.0 113.112 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -59.64 -50.7 72.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.354 1.461 . . . . 0.0 113.338 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -36.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.765 -1.209 . . . . 0.0 112.48 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.4 t -79.44 -16.58 13.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.491 0 O-C-N 119.193 -2.192 . . . . 0.0 109.532 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.8 t -80.95 -26.21 36.81 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 126.853 2.061 . . . . 0.0 113.165 170.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -54.57 -23.87 18.61 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 120.913 3.671 . . . . 0.0 120.913 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.36 160.46 26.7 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -174.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 p -81.97 -178.22 6.92 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.202 -1.561 . . . . 0.0 113.333 -175.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.22 -51.04 61.52 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.971 1.308 . . . . 0.0 112.65 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.53 -42.7 97.02 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 124.057 0.943 . . . . 0.0 112.8 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.257 18.3 m-20 -51.2 -59.87 3.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 123.261 1.505 . . . . 0.0 114.416 173.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.5 -40.39 96.96 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.38 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -66.95 -39.73 87.35 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 123.52 0.728 . . . . 0.0 109.802 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -54.65 -48.08 72.74 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.08 0.855 . . . . 0.0 113.154 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.58 -49.0 70.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.089 -1.007 . . . . 0.0 113.193 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.5 mt -46.31 -56.06 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.042 1.737 . . . . 0.0 111.682 166.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -40.57 96.7 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 120.932 -1.105 . . . . 0.0 113.632 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.34 -52.18 36.17 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.964 0.906 . . . . 0.0 112.427 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.55 92.02 3.53 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.855 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -74.28 -47.03 37.53 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.289 1.036 . . . . 0.0 111.438 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -68.52 -37.02 79.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.709 -1.244 . . . . 0.0 111.483 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.76 -64.51 4.24 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 125.132 1.349 . . . . 0.0 114.978 171.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -71.1 -58.19 3.8 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.871 -1.37 . . . . 0.0 112.322 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -68.6 -27.55 66.14 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 121.565 -0.71 . . . . 0.0 112.852 -172.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.54 51.81 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 121.869 -0.519 . . . . 0.0 112.867 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -72.24 -47.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.076 -1.838 . . . . 0.0 113.138 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -26.58 -66.59 0.06 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 155.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.3 ttm105 -68.34 -44.88 74.33 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.931 0.892 . . . . 0.0 113.221 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.365 0.2 OUTLIER -69.55 -41.79 75.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.509 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.03 -41.35 83.02 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.826 -1.171 . . . . 0.0 112.746 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -74.72 -31.28 61.79 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.03 -30.35 18.78 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -73.78 -13.11 60.89 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.265 -1.522 . . . . 0.0 113.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -89.08 114.75 26.02 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.269 -1.52 . . . . 0.0 111.314 168.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -92.32 107.74 19.44 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 122.199 0.999 . . . . 0.0 110.988 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--N 1.353 0.73 0 C-N-CA 128.776 2.831 . . . . 0.0 117.05 166.799 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.975 0.416 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.52 -34.12 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 120.358 -1.464 . . . . 0.0 112.906 170.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 78.1 mt -75.43 -52.92 9.6 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.209 -1.557 . . . . 0.0 114.772 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -30.29 -58.38 0.19 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 117.644 2.461 . . . . 0.0 117.644 144.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 84.61 59.58 1.99 Allowed Glycine 0 CA--C 1.487 -1.702 0 C-N-CA 127.304 2.383 . . . . 0.0 111.245 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.02 148.55 45.23 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-N 121.154 2.477 . . . . 0.0 104.653 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 5.9 m -76.63 152.85 35.71 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.24 -0.913 . . . . 0.0 111.131 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.95 -33.5 62.37 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 118.86 -2.4 . . . . 0.0 114.331 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -63.47 -33.83 76.44 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.556 -1.34 . . . . 0.0 112.645 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.34 -41.58 66.32 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 125.554 1.541 . . . . 0.0 109.949 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.31 99.09 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.215 -0.928 . . . . 0.0 111.891 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -48.45 -61.59 1.93 Allowed 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.887 1.675 . . . . 0.0 115.467 168.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.51 -25.93 34.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 O-C-N 119.399 -2.063 . . . . 0.0 115.029 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.62 -49.11 64.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 110.373 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -72.1 -8.66 55.89 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 171.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.2 mtm -91.84 -65.66 0.99 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.642 -1.911 . . . . 0.0 111.534 171.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -94.64 -40.66 9.7 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.402 1.081 . . . . 0.0 112.996 -167.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -78.52 -21.99 48.02 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.879 -1.138 . . . . 0.0 111.246 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.11 16.71 57.29 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.43 1.014 . . . . 0.0 114.164 173.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 76.8 mt -102.4 121.53 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -80.85 126.0 30.8 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 120.779 -1.201 . . . . 0.0 109.296 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 15.5 ptp -142.01 52.57 1.48 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.038 0.923 . . . . 0.0 109.802 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -107.5 -20.9 13.1 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 122.277 1.037 . . . . 0.0 110.871 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 1.2 t -91.32 169.78 10.52 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.266 1.826 . . . . 0.0 109.815 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.49 113.29 1.54 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.381 2.272 . . . . 0.0 115.444 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -118.47 80.79 1.58 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.715 1.721 . . . . 0.0 108.997 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -72.41 161.37 30.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 120.654 -1.278 . . . . 0.0 111.384 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.09 -28.56 58.19 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -167.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -70.55 -41.16 72.85 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 119.517 -1.989 . . . . 0.0 111.575 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -69.9 -34.93 74.17 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 128.911 2.884 . . . . 0.0 112.133 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.38 -44.75 84.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.286 -1.509 . . . . 0.0 112.698 169.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -57.99 -48.75 80.62 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 121.103 -0.998 . . . . 0.0 114.038 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -51.92 -48.48 64.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.318 2.247 . . . . 0.0 115.662 163.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -23.86 62.34 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 118.266 -2.771 . . . . 0.0 113.699 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -53.35 14.55 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.481 1.112 . . . . 0.0 113.276 175.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -39.15 -58.8 1.1 Allowed 'General case' 0 C--N 1.349 0.557 0 C-N-CA 126.66 1.984 . . . . 0.0 115.762 159.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.69 -47.81 84.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 C-N-CA 124.406 1.082 . . . . 0.0 111.91 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 29.1 m -49.61 -43.92 46.83 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 167.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -67.34 -42.86 82.85 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 119.886 -1.759 . . . . 0.0 110.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -52.21 -53.43 43.55 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.956 1.302 . . . . 0.0 110.678 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -57.59 -43.52 84.68 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 120.857 1.662 . . . . 0.0 111.088 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -58.48 -47.93 86.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 120.616 -1.303 . . . . 0.0 114.024 172.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -72.6 -22.37 60.98 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-N 123.742 2.974 . . . . 0.0 110.488 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -68.43 -40.01 81.32 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 119.998 -1.689 . . . . 0.0 114.162 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 98.6 mt -58.88 -50.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.649 -1.282 . . . . 0.0 113.529 165.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.81 -48.8 72.32 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.523 1.929 . . . . 0.0 112.399 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.35 17.68 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.077 1.751 . . . . 0.0 114.391 167.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -73.02 -34.12 66.15 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.826 -1.171 . . . . 0.0 111.943 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.47 78.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.622 1.169 . . . . 0.0 111.636 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.14 -6.31 41.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -92.91 -33.66 14.11 Favored 'General case' 0 C--N 1.345 0.37 0 O-C-N 120.103 -1.623 . . . . 0.0 109.719 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.14 -24.61 62.3 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.759 -1.838 . . . . 0.0 112.284 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.84 125.37 23.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.634 -1.292 . . . . 0.0 114.485 162.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -103.47 -48.23 4.04 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 120.173 -1.579 . . . . 0.0 110.408 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -86.9 103.97 5.18 Favored Pre-proline 0 N--CA 1.444 -0.753 0 CA-C-O 117.308 -1.33 . . . . 0.0 109.326 172.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -73.69 149.13 42.85 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 CA-C-N 124.226 2.545 . . . . 0.0 110.426 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.8 p -142.77 122.74 13.58 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 122.363 1.077 . . . . 0.0 109.07 170.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -118.36 154.75 31.86 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 174.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 50.9 m -98.78 -45.1 6.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -131.73 135.48 46.86 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 122.59 1.186 . . . . 0.0 111.132 170.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.19 33.48 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 63.5 mt -42.18 129.1 3.75 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 157.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -133.33 -53.94 0.9 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.209 1.004 . . . . 0.0 112.174 -173.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 22.9 t -150.65 -157.78 0.85 Allowed 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 172.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -72.92 27.72 0.06 Allowed 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -170.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 3.0 pp -114.22 -179.86 3.75 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.425 1.89 . . . . 0.0 111.319 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 68.44 -43.1 0.49 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 CA--C 1.554 1.111 0 O-C-N 120.541 -1.349 . . . . 0.0 110.894 179.06 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -52.35 58.67 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.953 -1.022 . . . . 0.0 112.619 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -69.91 -35.65 65.59 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 121.579 -0.701 . . . . 0.0 112.53 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -56.83 -43.73 81.34 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 119.952 -1.717 . . . . 0.0 111.925 170.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -65.11 -47.9 75.56 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.129 0.972 . . . . 0.0 111.987 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -53.79 -50.74 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 111.706 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -50.58 -48.83 57.53 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.3 1.44 . . . . 0.0 114.504 170.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -52.25 -61.83 2.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.761 1.624 . . . . 0.0 113.487 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.71 -49.19 14.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 126.363 1.865 . . . . 0.0 114.626 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.26 17.9 pt -64.4 -39.31 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 123.289 0.635 . . . . 0.0 112.612 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -61.58 -52.07 65.95 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.943 -1.098 . . . . 0.0 111.458 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.0 -31.12 49.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 124.721 1.208 . . . . 0.0 112.177 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.94 -25.28 48.18 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 119.867 -1.77 . . . . 0.0 114.139 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -70.37 -45.68 65.58 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 124.555 2.122 . . . . 0.0 109.281 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.5 mt -30.18 -64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 129.545 3.138 . . . . 0.0 115.141 152.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -49.78 -55.5 13.82 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.597 -1.315 . . . . 0.0 113.981 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 mm -48.62 -49.46 14.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 C-N-CA 129.505 3.122 . . . . 0.0 113.739 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HZ1' ' CD ' ' B' ' 555' ' ' GLU . 19.9 pttt -96.94 -24.42 15.84 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.883 -1.761 . . . . 0.0 115.686 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -76.44 -65.73 0.89 Allowed 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.781 -1.2 . . . . 0.0 111.734 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -102.87 -17.53 15.49 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 120.752 -1.217 . . . . 0.0 110.973 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.42 8.8 mtm180 72.81 -140.05 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 166.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.5 -9.59 59.67 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 120.208 -1.558 . . . . 0.0 112.229 -162.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -65.39 0.58 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.371 2.268 . . . . 0.0 113.035 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 pt -89.57 -28.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-O 121.785 0.803 . . . . 0.0 112.513 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -53.12 -46.13 54.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.377 0 C-N-CA 127.507 2.323 . . . . 0.0 113.275 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -42.77 -66.0 0.41 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 127.128 2.171 . . . . 0.0 113.924 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 108.39 4.47 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -163.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -40.68 -49.9 3.05 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.577 1.951 . . . . 0.0 115.924 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.61 77.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.02 -48.12 80.99 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.306 1.842 . . . . 0.0 111.569 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.61 -53.0 52.72 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.495 -1.378 . . . . 0.0 113.57 175.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -75.06 -32.66 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 120.798 -1.189 . . . . 0.0 109.021 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.2 65.63 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.12 -38.55 78.92 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.656 1.182 . . . . 0.0 110.63 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.9 -43.16 75.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.024 -1.047 . . . . 0.0 111.699 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -69.29 -34.44 74.72 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 119.61 -1.931 . . . . 0.0 114.524 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -36.74 -49.93 0.81 Allowed 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.826 2.05 . . . . 0.0 115.148 169.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.11 -2.14 10.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.344 1.457 . . . . 0.0 112.088 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.88 41.2 62.73 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 120.509 -1.37 . . . . 0.0 116.417 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -79.9 102.07 5.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.511 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.7 m -113.25 159.76 19.0 Favored 'General case' 0 C--N 1.365 1.256 0 O-C-N 119.7 -1.875 . . . . 0.0 107.543 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -146.83 134.15 20.66 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 49.76 25.37 1.5 Allowed 'General case' 0 C--N 1.357 0.907 0 C-N-CA 127.583 2.353 . . . . 0.0 114.56 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.55 -5.68 82.41 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 126.511 2.005 . . . . 0.0 114.605 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -106.5 136.5 46.16 Favored 'General case' 0 N--CA 1.441 -0.921 0 O-C-N 120.894 -1.357 . . . . 0.0 111.084 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -84.23 137.1 33.66 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.595 -1.315 . . . . 0.0 107.85 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.26 0.4 OUTLIER -79.4 92.71 5.24 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.463 -2.023 . . . . 0.0 115.554 -162.225 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -70.43 171.24 10.4 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 111.734 162.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -58.4 -28.31 65.07 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -170.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.71 -66.89 0.32 Allowed 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 112.661 161.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 m -71.95 -30.79 65.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 126.481 1.912 . . . . 0.0 113.314 -170.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.33 -49.94 74.97 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 126.094 1.758 . . . . 0.0 112.047 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -80.33 -35.16 35.98 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.143 -0.973 . . . . 0.0 110.794 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -63.21 -29.17 70.56 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 tt -74.64 -23.94 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 O-C-N 120.021 -1.674 . . . . 0.0 113.927 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.69 -41.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 127.757 2.423 . . . . 0.0 112.113 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -72.65 -53.12 12.65 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 127.152 2.181 . . . . 0.0 113.334 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -88.11 81.07 7.49 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.527 -1.983 . . . . 0.0 106.427 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.13 143.64 36.3 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.8 m -57.68 124.8 20.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 126.275 1.83 . . . . 0.0 111.651 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -46.82 -46.46 20.79 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.993 1.717 . . . . 0.0 114.976 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.69 -41.98 99.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.13 -30.73 34.47 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 120.968 -1.083 . . . . 0.0 110.841 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -59.03 -47.31 85.69 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.939 0.876 . . . . 0.0 112.139 166.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -69.2 -37.57 78.17 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 121.268 -0.895 . . . . 0.0 111.754 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.1 m -47.83 -42.88 27.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.876 1.27 . . . . 0.0 113.835 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.26 -46.38 64.53 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.744 -1.222 . . . . 0.0 111.782 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.8 mt -49.75 -51.24 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.74 1.616 . . . . 0.0 111.706 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -55.18 -61.91 2.02 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 128.168 2.587 . . . . 0.0 114.932 175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.2 -47.2 15.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.254 -0.904 . . . . 0.0 113.179 -171.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.86 71.29 2.52 Favored 'General case' 0 CA--C 1.513 -0.454 0 O-C-N 120.299 -1.5 . . . . 0.0 108.959 -176.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -45.18 -63.5 0.92 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 125.875 1.67 . . . . 0.0 114.575 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.83 -37.3 17.89 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.595 1.158 . . . . 0.0 110.697 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.88 91.56 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -73.7 -49.99 23.05 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.412 -1.64 . . . . 0.0 110.42 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -55.17 -39.2 69.26 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.535 1.134 . . . . 0.0 111.956 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.84 -61.04 4.56 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 126.552 2.025 . . . . 0.0 114.424 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.16 -46.98 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 119.505 -2.174 . . . . 0.0 112.789 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -38.34 -63.89 0.46 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 127.72 2.408 . . . . 0.0 116.273 168.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -61.14 -35.8 78.05 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 120.343 -1.473 . . . . 0.0 113.387 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -77.04 -38.29 53.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 121.194 -0.941 . . . . 0.0 111.384 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.35 -40.66 77.36 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.114 -1.616 . . . . 0.0 112.802 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.65 -30.59 64.42 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 112.128 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.4 ttp -72.82 -51.72 17.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.858 -1.151 . . . . 0.0 113.519 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -83.71 -57.07 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.368 -1.458 . . . . 0.0 113.79 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.0 p -84.21 101.64 12.02 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 120.592 -1.318 . . . . 0.0 113.2 -159.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -91.76 -166.52 1.58 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 109.687 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 pttt . . . . . 0 C--N 1.349 0.559 0 O-C-N 119.507 -1.995 . . . . 0.0 111.26 166.022 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 121.266 0.555 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.53 -42.13 74.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 125.141 1.376 . . . . 0.0 113.078 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.17 -58.64 7.33 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.807 -1.183 . . . . 0.0 114.101 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.56 -25.51 41.59 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 111.706 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.35 -2.65 8.92 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 121.193 -0.942 . . . . 0.0 115.304 160.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.293 2.1 pp -94.44 130.6 40.74 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.745 2.688 . . . . 0.0 117.323 -172.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -79.49 144.93 33.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 112.225 -2.261 . . . . 0.0 109.503 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.46 -36.56 0.58 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.761 2.024 . . . . 0.0 116.049 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -64.98 -39.97 94.26 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 122.896 1.331 . . . . 0.0 112.96 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 555' ' ' GLU . . . . . 0.485 ' CD ' ' HZ1' ' A' ' 20' ' ' LYS . 43.4 mt-10 -73.65 -43.19 60.13 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.644 2.378 . . . . 0.0 110.503 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.28 74.45 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.48 -0.762 . . . . 0.0 111.423 170.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -71.66 -48.91 44.5 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.433 -1.417 . . . . 0.0 110.469 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 21.0 m -62.04 -28.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.326 0 CA-C-N 121.583 1.992 . . . . 0.0 114.548 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.78 -55.18 32.79 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.107 1.363 . . . . 0.0 110.709 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.84 5.59 13.29 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.55 -1.344 . . . . 0.0 113.991 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 34.1 mtt -94.12 -62.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.336 -1.478 . . . . 0.0 110.066 166.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.994 1.318 . . . . 0.0 114.188 -165.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -87.1 -20.7 26.71 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.111 0.964 . . . . 0.0 109.933 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 90.14 3.24 73.15 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 120.829 -1.169 . . . . 0.0 114.751 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -94.02 123.42 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 118.365 1.082 . . . . 0.0 109.348 -172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -89.36 100.76 13.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.855 -1.153 . . . . 0.0 112.729 -169.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -92.2 109.25 20.62 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 164.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -174.89 -34.85 0.01 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -166.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 2.1 p -70.9 175.29 5.2 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.541 1.936 . . . . 0.0 113.334 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.68 132.2 51.5 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 111.576 167.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -122.42 115.84 22.96 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.156 -0.965 . . . . 0.0 109.801 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 20.4 m -111.27 146.21 37.42 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 11.9 mt -1.71 -62.52 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 162.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.47 -33.23 54.68 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.926 -1.109 . . . . 0.0 112.338 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.31 -43.71 66.57 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.274 1.43 . . . . 0.0 109.796 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.63 -47.36 49.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.414 1.486 . . . . 0.0 110.836 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -51.14 -55.16 20.17 Favored Glycine 0 C--N 1.353 1.502 0 C-N-CA 124.718 1.151 . . . . 0.0 114.803 171.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -71.58 -32.37 67.99 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 119.101 1.45 . . . . 0.0 108.47 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.91 -30.55 67.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 120.365 -1.459 . . . . 0.0 112.313 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -72.39 -56.72 4.99 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.394 -1.441 . . . . 0.0 112.652 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -24.73 -65.39 0.05 OUTLIER 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 152.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.97 -55.55 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.853 1.661 . . . . 0.0 111.579 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 38.0 m -48.34 -40.36 25.08 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 167.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.37 -50.96 41.38 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.994 -1.691 . . . . 0.0 110.439 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.947 0.899 . . . . 0.0 113.239 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -56.01 -37.42 69.13 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.645 -1.284 . . . . 0.0 112.648 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 587' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' B' ' 590' ' ' ILE . 76.0 mt -65.33 -38.54 82.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 120.666 -1.272 . . . . 0.0 110.307 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.51 -19.08 58.34 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 118.492 -2.63 . . . . 0.0 109.814 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -72.39 -40.83 66.94 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.283 -1.511 . . . . 0.0 112.04 165.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 590' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 587' ' ' ILE . 64.4 mt -56.18 -46.11 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 120.236 -1.54 . . . . 0.0 114.569 165.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -45.22 -60.45 2.11 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 128.425 2.69 . . . . 0.0 112.136 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.94 -51.72 4.32 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.33 2.252 . . . . 0.0 114.075 170.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -73.82 -28.82 61.81 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 123.549 0.74 . . . . 0.0 111.394 -174.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.94 -37.29 40.07 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.841 1.256 . . . . 0.0 111.249 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.1 1.48 11.02 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -91.42 -29.53 17.01 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.329 1.851 . . . . 0.0 110.727 163.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -74.2 -29.28 61.67 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 119.32 -2.113 . . . . 0.0 112.587 170.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.08 76.05 10.1 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-O 123.848 1.785 . . . . 0.0 111.276 170.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -74.93 -29.05 60.84 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.604 2.762 . . . . 0.0 114.064 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -74.86 147.47 84.05 Favored Pre-proline 0 C--N 1.348 0.537 0 O-C-N 120.907 -1.121 . . . . 0.0 112.164 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo . . . . . 0 C--O 1.234 0.297 0 C-N-CA 122.031 1.82 . . . . 0.0 115.509 176.615 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 N--CA 1.443 -0.815 0 CA-C-O 122.732 1.254 . . . . 0.0 114.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -74.81 -63.0 1.35 Allowed 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.519 -1.363 . . . . 0.0 110.334 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tp -71.56 -27.06 27.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 C-N-CA 124.395 1.078 . . . . 0.0 112.185 -166.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.98 -44.83 88.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.523 1.529 . . . . 0.0 111.572 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 m -63.59 -51.07 66.9 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 120.737 -1.227 . . . . 0.0 110.841 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.394 1.0 OUTLIER -56.88 -39.95 68.37 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 O-C-N 120.884 -1.135 . . . . 0.0 113.533 172.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -57.03 -38.57 73.35 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.053 1.741 . . . . 0.0 114.258 172.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.07 -54.83 38.05 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.563 -1.336 . . . . 0.0 110.325 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.0 -35.28 46.98 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 126.847 2.059 . . . . 0.0 114.617 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.2 mt -61.87 -52.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.516 . . . . 0.0 109.967 171.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 m -58.15 -53.59 56.57 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.264 1.426 . . . . 0.0 113.001 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -51.43 -52.0 22.12 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 C-N-CA 128.277 2.631 . . . . 0.0 113.713 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 -24.17 61.09 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 120.423 -1.423 . . . . 0.0 113.362 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -72.63 -48.03 42.83 Favored 'General case' 0 C--N 1.36 1.065 0 O-C-N 120.563 -1.336 . . . . 0.0 107.405 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -34.02 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 127.998 2.519 . . . . 0.0 116.006 155.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -52.51 -43.88 65.37 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.795 -1.815 . . . . 0.0 112.909 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.34 -54.51 27.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 C-N-CA 128.74 2.816 . . . . 0.0 112.602 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -77.58 -33.83 53.77 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 116.976 -3.578 . . . . 0.0 111.749 -169.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -80.61 -42.38 22.3 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 124.023 0.929 . . . . 0.0 112.185 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.8 -8.31 9.45 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.409 16.8 mtt180 67.05 -124.03 0.23 Allowed 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -99.62 5.98 45.79 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.018 -1.676 . . . . 0.0 111.277 -165.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -51.2 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 131.187 3.795 . . . . 0.0 114.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.7 mt -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 122.197 0.998 . . . . 0.0 109.92 -167.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 27' ' ' VAL . 48.9 t -41.47 -43.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.319 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -44.76 -59.83 2.32 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.522 1.529 . . . . 0.0 112.954 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -70.94 119.02 14.46 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.869 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.12 -35.18 76.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.47 -1.394 . . . . 0.0 114.346 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.94 64.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.755 -1.216 . . . . 0.0 112.818 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.5 -34.51 71.0 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.109 1.364 . . . . 0.0 114.145 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.9 -70.18 0.19 Allowed 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.215 -1.553 . . . . 0.0 113.754 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.4 mm -22.52 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 128.453 2.701 . . . . 0.0 115.269 149.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.49 63.79 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 119.864 -1.773 . . . . 0.0 115.682 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -44.61 76.21 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.99 1.316 . . . . 0.0 111.286 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.69 -47.46 86.16 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 122.565 1.174 . . . . 0.0 110.468 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.94 -51.21 65.45 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 120.612 -1.305 . . . . 0.0 113.555 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.7 -57.28 3.28 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 167.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 pt -83.48 -11.38 11.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 119.666 -1.896 . . . . 0.0 111.67 -171.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.05 55.15 1.41 Allowed Glycine 0 CA--C 1.49 -1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 113.002 163.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.94 109.68 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 121.723 -0.869 . . . . 0.0 109.034 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -107.22 145.12 33.04 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 120.292 -1.505 . . . . 0.0 112.142 -167.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -151.03 132.29 14.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 164.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 56.55 19.98 4.57 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.2 -2.59 71.67 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.34 -1.475 . . . . 0.0 114.081 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -103.48 154.76 19.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.306 -1.703 . . . . 0.0 108.588 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -90.74 133.46 35.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 163.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.387 1.0 OUTLIER -72.72 102.31 3.31 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 124.738 2.209 . . . . 0.0 116.563 -166.544 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -69.04 177.86 2.49 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.597 1.959 . . . . 0.0 113.412 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -58.32 -36.98 74.19 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.64 -58.42 6.35 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.677 1.591 . . . . 0.0 113.331 166.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.0 t -65.19 -32.49 74.19 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.528 1.531 . . . . 0.0 113.481 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -63.44 -57.46 10.2 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 125.757 1.623 . . . . 0.0 111.755 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -76.07 -11.16 59.89 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 119.591 -1.943 . . . . 0.0 112.461 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -62.5 -48.04 81.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.745 -1.222 . . . . 0.0 113.736 165.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.6 pt -67.37 -24.49 31.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 119.773 -1.829 . . . . 0.0 113.214 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.77 -36.14 63.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.677 1.191 . . . . 0.0 111.458 169.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 -48.32 70.72 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 119.732 -1.855 . . . . 0.0 113.181 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.93 -18.29 55.99 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 127.716 2.407 . . . . 0.0 117.293 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.29 150.06 20.65 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.206 -1.559 . . . . 0.0 111.02 174.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.1 p -86.72 173.87 9.2 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-O 124.414 2.054 . . . . 0.0 114.176 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -55.23 -35.62 65.14 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.257 -2.152 . . . . 0.0 115.785 161.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -70.33 -52.35 23.36 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 120.411 -1.431 . . . . 0.0 113.51 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.308 1.0 OUTLIER -38.54 -58.1 1.08 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 124.446 2.069 . . . . 0.0 115.25 165.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -58.99 -42.07 89.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.583 2.353 . . . . 0.0 114.157 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -72.59 -40.58 66.46 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 124.428 1.091 . . . . 0.0 109.917 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.4 m -52.12 -45.15 64.83 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.939 2.096 . . . . 0.0 112.35 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -58.96 5.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.08 2.152 . . . . 0.0 112.827 171.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -48.52 -46.63 14.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 C-N-CA 124.75 1.22 . . . . 0.0 112.662 172.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -36.36 82.98 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.45 -1.406 . . . . 0.0 114.26 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -80.03 -56.23 4.39 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.034 1.334 . . . . 0.0 111.669 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -104.7 78.7 1.47 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.045 2.138 . . . . 0.0 109.087 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -60.27 -64.94 0.78 Allowed 'General case' 0 C--N 1.351 0.63 0 C-N-CA 125.53 1.532 . . . . 0.0 113.026 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.87 -41.64 59.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.089 0.956 . . . . 0.0 110.188 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.97 -58.86 12.06 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 126.596 2.046 . . . . 0.0 116.525 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -82.49 -44.84 15.47 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.751 -1.44 . . . . 0.0 111.471 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.82 -32.54 73.75 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.237 0.926 . . . . 0.0 111.757 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.27 -50.38 40.64 Favored Glycine 0 C--N 1.35 1.346 0 C-N-CA 124.712 1.148 . . . . 0.0 115.275 164.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.56 -49.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.608 2.204 . . . . 0.0 111.315 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -28.48 -54.72 0.11 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.484 2.314 . . . . 0.0 116.815 156.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -57.85 -28.87 64.51 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.41 -38.51 13.25 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.69 -1.256 . . . . 0.0 110.791 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -35.58 77.01 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 127.265 2.226 . . . . 0.0 114.519 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.14 -12.57 46.65 Favored 'General case' 0 C--N 1.346 0.413 0 O-C-N 120.179 -1.575 . . . . 0.0 112.705 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.5 ttm -92.02 -51.89 4.98 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.518 1.527 . . . . 0.0 112.421 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.62 -3.51 58.53 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.655 -1.278 . . . . 0.0 113.608 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.5 t -77.69 122.43 25.33 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 123.145 1.45 . . . . 0.0 113.316 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -92.17 148.79 21.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.691 -1.255 . . . . 0.0 110.542 173.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt . . . . . 0 C--N 1.358 0.948 0 O-C-N 119.547 -1.97 . . . . 0.0 110.635 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.224 -0.262 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.98 -47.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.319 1.448 . . . . 0.0 112.138 168.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.9 -54.15 43.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 113.157 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -75.44 -23.71 56.97 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 120.011 -1.681 . . . . 0.0 109.74 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 79.76 66.98 1.62 Allowed Glycine 0 CA--C 1.48 -2.137 0 C-N-CA 126.336 1.922 . . . . 0.0 111.213 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.4 pp -136.49 140.18 42.85 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 101.997 -3.334 . . . . 0.0 101.997 173.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 76.5 p -81.34 168.36 18.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.519 1.152 . . . . 0.0 111.434 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.84 -19.93 61.9 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.254 -2.154 . . . . 0.0 110.891 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -73.02 -28.27 62.25 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 123.103 1.43 . . . . 0.0 111.1 176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.04 -44.19 73.15 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.071 1.348 . . . . 0.0 110.306 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.54 77.84 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.57 -1.331 . . . . 0.0 114.123 168.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -56.05 -58.33 8.38 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 122.214 1.007 . . . . 0.0 112.512 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.1 p -70.39 -23.75 24.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.144 -1.597 . . . . 0.0 115.257 -170.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.42 -42.39 87.81 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.813 -1.179 . . . . 0.0 111.474 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -55.77 -61.88 2.06 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 120.885 -1.134 . . . . 0.0 113.179 156.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -56.58 -66.62 0.41 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -89.19 -35.15 16.38 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.91 -1.118 . . . . 0.0 113.467 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -88.95 -21.32 23.61 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.833 -1.167 . . . . 0.0 111.158 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.21 46.9 9.65 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.386 -2.071 . . . . 0.0 114.686 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 2.7 mt -116.3 122.81 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -96.75 111.69 23.75 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -153.61 38.2 0.47 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 -166.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.18 73.78 1.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -169.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.6 t -140.19 -155.02 0.55 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 120.236 -1.54 . . . . 0.0 111.405 -150.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.2 129.18 37.33 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.412 1.485 . . . . 0.0 110.77 165.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.12 123.3 40.52 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 120.623 -1.298 . . . . 0.0 108.733 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 58.3 m -117.97 152.67 35.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -27.4 -58.14 0.1 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 128.246 2.618 . . . . 0.0 117.882 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -69.94 -38.62 76.21 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 120.299 -1.5 . . . . 0.0 111.274 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.54 -44.17 83.14 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.487 1.515 . . . . 0.0 112.056 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 16.9 t -51.07 -53.93 12.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 126.138 1.775 . . . . 0.0 111.332 171.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -63.75 -47.86 82.43 Favored Glycine 0 C--N 1.348 1.219 0 C-N-CA 124.715 1.15 . . . . 0.0 112.744 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -66.44 -39.24 88.79 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 123.306 1.527 . . . . 0.0 108.853 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.87 -27.26 69.22 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 127.163 2.185 . . . . 0.0 112.092 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.39 -61.99 1.59 Allowed 'General case' 0 C--N 1.349 0.576 0 C-N-CA 125.395 1.478 . . . . 0.0 111.324 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.02 -48.08 52.85 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 130.212 3.405 . . . . 0.0 117.35 163.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 70.3 t -48.88 -66.25 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.159 0.983 . . . . 0.0 112.196 162.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -9.91 57.78 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 -176.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -66.68 -48.59 68.85 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.674 -1.891 . . . . 0.0 107.737 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.3 -26.13 62.65 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.306 -1.315 . . . . 0.0 113.287 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -67.08 -33.04 74.64 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 118.929 -2.357 . . . . 0.0 112.122 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.95 -45.93 86.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 119.914 -1.741 . . . . 0.0 111.934 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -58.19 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 154.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -48.82 -51.38 29.78 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.99 -47.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 125.427 1.491 . . . . 0.0 112.786 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.83 -51.82 67.69 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.514 1.926 . . . . 0.0 111.484 -172.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -50.15 -45.2 52.97 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.911 1.685 . . . . 0.0 113.465 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -70.96 -47.87 56.52 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.445 1.098 . . . . 0.0 112.591 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.95 -39.88 66.31 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.732 1.613 . . . . 0.0 112.83 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 57.3 mt -75.45 -11.42 60.03 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.885 -1.134 . . . . 0.0 113.338 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -74.07 -26.36 60.34 Favored 'General case' 0 C--N 1.377 1.771 0 CA-C-N 122.754 2.525 . . . . 0.0 106.873 -169.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -24.57 56.31 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 131.05 3.74 . . . . 0.0 112.041 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 18.4 tp -74.45 137.89 42.9 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 163.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -131.28 -36.15 1.31 Allowed 'General case' 0 CA--C 1.503 -0.856 0 O-C-N 120.703 -1.248 . . . . 0.0 111.152 -162.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -78.24 152.9 79.35 Favored Pre-proline 0 C--N 1.349 0.569 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 163.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo . . . . . 0 C--N 1.324 -0.73 0 CA-C-N 122.864 2.059 . . . . 0.0 112.287 -179.669 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 123.404 1.574 . . . . 0.0 114.333 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -57.9 -44.46 86.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.591 2.356 . . . . 0.0 115.854 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.02 -30.34 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 125.485 1.514 . . . . 0.0 114.511 -169.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.25 -57.18 2.64 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.063 2.145 . . . . 0.0 114.212 168.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.6 m -79.58 -33.62 41.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.32 1.448 . . . . 0.0 110.002 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -54.13 -57.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 C-N-CA 124.581 1.152 . . . . 0.0 112.343 168.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -44.34 -48.97 9.7 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.055 1.742 . . . . 0.0 113.083 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -56.05 26.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 125.249 1.419 . . . . 0.0 113.796 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.23 -47.94 32.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.506 1.922 . . . . 0.0 113.752 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -59.25 -44.49 92.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 124.875 1.27 . . . . 0.0 111.794 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 m -59.63 -52.32 66.03 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.532 -1.355 . . . . 0.0 112.346 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.3 -30.93 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.608 1.163 . . . . 0.0 110.456 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.12 96.35 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 117.612 -3.18 . . . . 0.0 115.753 162.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -77.09 -42.22 39.03 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 121.655 2.025 . . . . 0.0 109.401 -164.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.0 mt -33.41 -62.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.927 0 C-N-CA 129.433 3.093 . . . . 0.0 114.248 158.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -56.16 -43.39 78.3 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-O 122.466 1.127 . . . . 0.0 113.746 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.32 -55.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 124.589 1.156 . . . . 0.0 112.413 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -71.72 -49.89 35.17 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 118.548 -2.595 . . . . 0.0 110.735 -171.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -72.08 -43.11 65.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.602 1.161 . . . . 0.0 113.139 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 p -116.02 -13.54 11.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.391 0.1 OUTLIER 61.18 -116.89 0.69 Allowed 'General case' 0 C--O 1.222 -0.355 0 O-C-N 119.819 -1.801 . . . . 0.0 112.495 -172.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -106.91 0.09 23.59 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.007 -1.683 . . . . 0.0 113.132 -163.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.07 -55.02 40.1 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 125.344 1.458 . . . . 0.0 113.93 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' A' ' 36' ' ' PHE . 4.8 mp -89.14 -46.31 15.36 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.767 -1.208 . . . . 0.0 110.434 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 27' ' ' VAL . 5.6 t -35.96 -47.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 C-N-CA 129.487 3.115 . . . . 0.0 117.142 174.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.19 -33.86 74.14 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 123.776 1.751 . . . . 0.0 113.715 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -85.05 82.94 8.22 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -171.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -58.77 -29.74 67.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -159.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -34.61 78.42 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.595 -1.94 . . . . 0.0 114.458 170.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -33.16 74.24 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -61.14 -62.62 1.71 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.141 1.376 . . . . 0.0 113.901 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -22.61 -62.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 129.363 3.065 . . . . 0.0 112.269 144.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -40.33 75.58 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 118.322 -2.736 . . . . 0.0 116.289 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -67.09 -42.64 84.3 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.231 1.413 . . . . 0.0 113.112 178.719 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.35 -42.83 99.33 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 119.875 -1.766 . . . . 0.0 112.498 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -76.65 -30.83 56.99 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.738 -1.226 . . . . 0.0 111.752 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -41.76 -60.19 1.44 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 128.006 2.522 . . . . 0.0 115.464 165.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.2 pt -89.19 6.77 3.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.158 0.98 . . . . 0.0 111.298 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.95 49.94 6.16 Favored Glycine 0 C--N 1.346 1.089 0 C-N-CA 125.77 1.653 . . . . 0.0 114.798 158.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -96.35 135.07 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -144.49 179.02 7.54 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -150.91 128.2 11.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.77 17.82 4.43 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.53 -8.4 74.57 Favored Glycine 0 C--N 1.356 1.663 0 O-C-N 120.216 -1.552 . . . . 0.0 113.014 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -102.55 143.04 32.76 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 120.855 -1.379 . . . . 0.0 108.55 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -74.68 145.15 43.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 120.468 -1.395 . . . . 0.0 110.954 169.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.73 74.17 9.19 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.086 -1.634 . . . . 0.0 112.625 -176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -75.02 -171.11 1.26 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.454 -1.404 . . . . 0.0 109.42 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -49.34 -43.05 43.44 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.992 -1.692 . . . . 0.0 114.669 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -58.97 -67.99 0.31 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-O 122.778 1.275 . . . . 0.0 113.896 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 p -76.65 -23.18 53.3 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 126.663 1.985 . . . . 0.0 112.962 -165.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.03 -48.53 81.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.323 1.049 . . . . 0.0 110.949 164.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -75.09 -28.78 60.42 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 120.34 -1.475 . . . . 0.0 111.482 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.82 -25.75 66.6 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.149 -1.594 . . . . 0.0 114.755 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 tt -81.02 -35.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 O-C-N 119.985 -1.697 . . . . 0.0 113.637 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -86.22 -34.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 127.325 2.25 . . . . 0.0 115.081 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -70.97 -58.49 3.53 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.263 1.825 . . . . 0.0 112.106 164.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.43 66.71 6.47 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.322 -2.111 . . . . 0.0 108.28 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.1 tp -122.35 147.77 45.87 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.59 3.556 . . . . 0.0 103.956 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -71.41 -174.78 1.12 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.647 -1.283 . . . . 0.0 113.039 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -83.44 -54.79 4.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.055 -1.653 . . . . 0.0 109.807 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -55.54 -46.88 77.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.978 1.711 . . . . 0.0 115.099 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.83 -28.65 24.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.986 -171.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.07 98.94 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.474 1.488 . . . . 0.0 111.074 165.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -68.34 -44.7 74.73 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 124.91 1.284 . . . . 0.0 110.937 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.4 m -50.01 -43.64 50.71 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.311 2.245 . . . . 0.0 113.751 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.66 -47.37 69.72 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.463 1.505 . . . . 0.0 111.009 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -53.52 -53.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 C-N-CA 123.842 0.857 . . . . 0.0 112.471 169.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -51.87 -33.05 34.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.123 1.769 . . . . 0.0 115.036 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -81.57 -53.67 6.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.052 1.341 . . . . 0.0 112.435 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.6 68.87 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.157 1.783 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -60.27 -54.79 41.57 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 124.95 1.3 . . . . 0.0 112.548 -170.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.2 -40.18 6.19 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 119.416 -2.053 . . . . 0.0 114.461 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.02 -54.08 21.03 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 119.628 1.714 . . . . 0.0 110.47 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -57.6 -40.07 78.24 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.185 1.794 . . . . 0.0 111.752 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.96 -56.34 12.97 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 125.742 1.639 . . . . 0.0 115.476 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.04 -39.67 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.227 2.014 . . . . 0.0 112.46 -168.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -43.83 71.5 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.403 -1.436 . . . . 0.0 110.145 -170.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -62.0 -46.74 87.89 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.446 0.1 OUTLIER -74.49 -17.97 60.68 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.314 -1.491 . . . . 0.0 113.982 -179.328 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.6 tp -71.3 -54.16 11.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.458 -0.776 . . . . 0.0 112.22 162.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -64.54 -32.93 74.78 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -16.37 62.68 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.252 -1.53 . . . . 0.0 113.495 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -72.51 -35.3 68.08 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.848 0.859 . . . . 0.0 113.074 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 p -93.53 135.54 34.69 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.057 1.408 . . . . 0.0 113.523 -166.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -115.67 153.97 30.35 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.703 -1.248 . . . . 0.0 111.972 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--N 1.36 1.037 0 O-C-N 119.839 -1.788 . . . . 0.0 111.112 177.623 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.446 -0.654 0 CA-C-O 121.001 0.429 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.65 -45.34 98.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.948 -1.095 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.37 -56.84 16.95 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.18 -26.13 42.71 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 119.763 1.165 . . . . 0.0 112.945 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 112.58 -33.23 5.76 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.076 -1.64 . . . . 0.0 111.668 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.34 115.72 18.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.971 0.891 . . . . 0.0 111.52 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 170.54 8.51 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 126.078 1.751 . . . . 0.0 114.539 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.98 -44.9 1.13 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 170.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -70.52 -38.39 74.25 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.275 1.512 . . . . 0.0 111.168 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.87 -52.56 59.46 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 129.047 2.939 . . . . 0.0 111.511 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.4 74.43 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.415 0.686 . . . . 0.0 112.808 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -70.07 -42.97 72.1 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.744 -1.223 . . . . 0.0 111.377 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.28 -29.69 48.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 119.902 -1.749 . . . . 0.0 113.075 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.0 -40.42 76.55 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.931 1.292 . . . . 0.0 112.252 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.5 mtm-85 -79.34 -37.64 37.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.58 1.152 . . . . 0.0 112.484 167.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 91.1 mtp -71.56 -59.44 2.76 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 117.388 -3.32 . . . . 0.0 114.683 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -92.78 -55.22 3.45 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.667 -1.271 . . . . 0.0 112.279 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -70.12 -23.14 62.98 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 112.493 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 73.8 42.81 37.36 Favored Glycine 0 C--N 1.349 1.269 0 C-N-CA 125.506 1.527 . . . . 0.0 116.136 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 48.9 mt -112.83 123.4 68.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 119.502 1.651 . . . . 0.0 107.568 171.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -89.92 97.7 11.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.339 -1.476 . . . . 0.0 112.531 -165.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.5 mtm -111.32 53.26 0.72 Allowed 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.386 -1.446 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -116.2 -24.08 8.15 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.445 -1.41 . . . . 0.0 111.172 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 10.5 p -74.97 -170.57 1.13 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.013 2.125 . . . . 0.0 113.36 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.23 125.82 27.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 119.526 -1.984 . . . . 0.0 113.332 168.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -122.01 139.86 53.17 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.662 1.185 . . . . 0.0 108.137 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 572' ' ' THR . . . . . 0.446 ' H ' ' HG3' ' B' ' 575' ' ' GLU . 55.3 p -97.11 173.37 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 165.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 59.5 mt -71.81 -20.27 61.87 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.428 -1.42 . . . . 0.0 111.198 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -70.45 -43.77 69.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.243 -0.911 . . . . 0.0 111.865 167.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 575' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' B' ' 572' ' ' THR . 33.3 mm-40 -59.59 -44.96 93.19 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 120.542 -1.349 . . . . 0.0 112.589 177.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 26.3 t -58.6 -48.33 85.98 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.89 1.276 . . . . 0.0 112.2 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.67 -43.33 99.41 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 124.951 1.263 . . . . 0.0 113.237 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -70.25 -27.01 64.11 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.148 -1.207 . . . . 0.0 109.712 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -21.69 63.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -74.22 -52.92 10.94 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.237 1.38 . . . . 0.0 110.493 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -34.61 -66.84 0.16 Allowed 'General case' 0 C--N 1.345 0.375 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 149.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 82.8 t -51.52 -56.46 5.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 119.634 1.107 . . . . 0.0 112.268 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 8.6 m -40.2 -54.27 2.36 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 163.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -68.5 -42.01 79.23 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.514 -1.991 . . . . 0.0 112.341 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -59.57 -46.84 87.74 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.546 1.938 . . . . 0.0 111.611 172.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -59.54 -43.57 93.47 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.492 -1.38 . . . . 0.0 112.259 172.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.98 -37.47 77.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 C-N-CA 125.041 1.336 . . . . 0.0 112.14 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -20.51 61.12 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 121.692 2.042 . . . . 0.0 109.146 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -78.06 -32.96 51.08 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.15 -2.218 . . . . 0.0 112.642 168.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 69.1 mt -55.91 -46.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 119.546 -1.971 . . . . 0.0 113.529 163.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -54.76 -54.63 39.55 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.411 2.684 . . . . 0.0 111.541 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.11 -55.83 6.47 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.618 1.567 . . . . 0.0 114.495 168.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -66.26 -45.11 81.69 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.943 -1.098 . . . . 0.0 112.692 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.07 73.92 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 73.0 mt -75.48 0.83 15.8 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 171.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -99.08 -34.32 10.44 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.07 -1.644 . . . . 0.0 108.983 165.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -68.04 -38.82 82.95 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 119.671 -1.893 . . . . 0.0 114.275 170.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 598' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' B' ' 599' ' ' ARG . 12.8 tp -76.95 166.46 23.3 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.727 -1.233 . . . . 0.0 109.805 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 599' ' ' ARG . . . . . 0.428 ' H ' ' HG ' ' B' ' 598' ' ' LEU . 3.7 tpt180 -156.52 -39.63 0.08 Allowed 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.531 -1.356 . . . . 0.0 109.483 -160.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.92 150.55 97.73 Favored Pre-proline 0 C--N 1.351 0.645 0 C-N-CA 124.301 1.04 . . . . 0.0 111.493 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo . . . . . 0 N--CA 1.458 -0.588 0 C-N-CA 121.78 1.653 . . . . 0.0 112.562 -177.622 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.7 -34.56 71.44 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.627 1.171 . . . . 0.0 112.695 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 mm -65.89 -27.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 121.326 -0.859 . . . . 0.0 113.026 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.9 -41.53 95.52 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.199 -1.563 . . . . 0.0 111.672 171.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -63.78 -43.05 97.5 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.145 -1.597 . . . . 0.0 111.946 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.33 -52.19 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.957 0.903 . . . . 0.0 112.59 173.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -50.33 -45.37 54.84 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 126.988 2.115 . . . . 0.0 113.78 168.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -57.48 -55.94 28.26 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.604 1.562 . . . . 0.0 113.062 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -45.89 -49.51 4.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 127.484 2.314 . . . . 0.0 113.946 168.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.58 -48.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-O 122.45 1.119 . . . . 0.0 110.04 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -63.73 -50.69 68.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.742 0.817 . . . . 0.0 113.1 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.64 -26.43 16.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.171 -1.581 . . . . 0.0 112.312 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.17 -17.18 59.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.979 -1.075 . . . . 0.0 113.183 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 m -73.8 -48.16 33.49 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.826 -1.796 . . . . 0.0 107.514 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.9 mt -32.71 -49.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 130.954 3.701 . . . . 0.0 115.752 154.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 -53.16 59.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.376 -2.077 . . . . 0.0 113.353 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 mt -81.12 -56.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 125.981 1.712 . . . . 0.0 115.122 -170.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -68.5 -46.95 68.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.348 2.499 . . . . 0.0 111.362 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -90.69 -48.61 6.95 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 130.32 3.448 . . . . 0.0 112.181 -163.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -105.15 -12.95 15.88 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 121.975 2.171 . . . . 0.0 116.09 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 82.3 165.43 0.13 Allowed 'General case' 0 C--N 1.343 0.324 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 163.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -38.35 -23.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.823 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -42.15 96.57 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 121.027 1.74 . . . . 0.0 115.147 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.4 pt -82.75 -36.14 13.02 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 O-C-N 120.085 -1.635 . . . . 0.0 111.315 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 14.1 t -46.95 -49.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.359 1.017 0 C-N-CA 126.951 2.101 . . . . 0.0 113.499 167.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -42.53 -43.8 3.87 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 128.051 2.541 . . . . 0.0 114.673 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -95.49 103.14 15.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -60.19 -38.9 84.69 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.276 -1.515 . . . . 0.0 113.207 -169.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -59.82 4.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.18 -47.8 71.64 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.315 2.246 . . . . 0.0 113.413 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 27' ' ' VAL . 45.7 t80 -60.79 -53.28 59.31 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.718 1.607 . . . . 0.0 112.51 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.47 -36.42 48.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.051 0 O-C-N 119.475 -2.016 . . . . 0.0 109.07 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -16.59 6.03 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -29.52 68.25 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.845 0.858 . . . . 0.0 111.322 173.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.75 -49.7 20.04 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.005 -1.684 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -49.93 -61.83 1.91 Allowed 'General case' 0 C--N 1.357 0.899 0 C-N-CA 127.553 2.341 . . . . 0.0 113.043 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -29.24 -52.18 0.11 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.496 2.718 . . . . 0.0 117.049 168.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.9 pt -95.86 -8.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 O-C-N 121.09 -1.006 . . . . 0.0 112.526 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.62 42.5 5.43 Favored Glycine 0 C--N 1.347 1.184 0 O-C-N 120.858 -1.151 . . . . 0.0 115.313 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.7 t -86.45 111.21 21.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 118.836 1.318 . . . . 0.0 107.583 168.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -118.54 167.3 11.74 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.763 -1.211 . . . . 0.0 111.132 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -135.67 132.72 37.34 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.2 31.52 0.56 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.08 1.88 72.08 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 126.274 1.892 . . . . 0.0 114.498 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -107.29 138.51 43.35 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 120.913 -1.345 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -74.51 132.26 41.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.675 -1.265 . . . . 0.0 108.868 166.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 92.03 9.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.716 -1.865 . . . . 0.0 114.015 -170.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -74.87 173.37 10.7 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.997 1.319 . . . . 0.0 110.937 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -30.18 -63.13 0.14 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -48.45 -61.94 1.75 Allowed 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.21 2.204 . . . . 0.0 114.546 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.7 t -63.76 -40.03 95.71 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 126.979 2.112 . . . . 0.0 113.308 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.24 -57.34 13.47 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.78 2.032 . . . . 0.0 113.521 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -70.78 -26.42 63.33 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.996 -1.69 . . . . 0.0 113.999 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -65.08 -42.77 93.78 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 119.671 -1.893 . . . . 0.0 113.537 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.271 11.4 tt -60.13 -53.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 O-C-N 120.81 -1.181 . . . . 0.0 112.183 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.03 -30.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 CA-C-N 120.807 1.64 . . . . 0.0 111.169 -167.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.6 t -86.12 -17.26 35.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.937 -1.727 . . . . 0.0 114.521 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -95.16 17.2 14.61 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 123.586 2.903 . . . . 0.0 112.894 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.36 155.56 38.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 120.014 -1.679 . . . . 0.0 113.054 167.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.56 156.51 20.72 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 126.094 1.758 . . . . 0.0 110.482 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -66.85 -42.56 85.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.92 -52.5 56.09 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 125.342 1.457 . . . . 0.0 114.077 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.326 8.5 m-20 -45.92 -50.35 14.67 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 129.345 3.058 . . . . 0.0 116.456 160.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -56.43 -41.57 76.61 Favored 'General case' 0 C--N 1.373 1.627 0 O-C-N 120.196 -1.565 . . . . 0.0 112.867 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.9 tptt -72.75 -22.07 60.91 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 121.059 -1.025 . . . . 0.0 111.636 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -55.73 -46.48 77.76 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.179 -1.576 . . . . 0.0 111.442 164.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.07 -46.36 62.07 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.54 -1.35 . . . . 0.0 113.324 173.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 67' ' ' LYS . 77.0 mt -55.12 -45.63 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.168 0.987 . . . . 0.0 112.877 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.55 -62.62 1.51 Allowed 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.501 -1.374 . . . . 0.0 113.358 170.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.08 -48.6 57.06 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.96 73.36 1.52 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.858 1.263 . . . . 0.0 109.323 -175.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -48.07 71.36 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.329 -1.482 . . . . 0.0 111.54 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.9 -35.46 78.53 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.432 -0.792 . . . . 0.0 111.378 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -62.41 5.44 Favored Glycine 0 C--N 1.345 1.052 0 C-N-CA 124.074 0.845 . . . . 0.0 113.934 172.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -75.9 -49.57 17.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.305 -1.703 . . . . 0.0 114.215 -170.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -71.75 -33.13 68.42 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 121.073 -1.017 . . . . 0.0 110.588 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.38 -40.92 92.8 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-O 119.426 -0.652 . . . . 0.0 113.76 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.77 -61.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 119.91 1.855 . . . . 0.0 112.745 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.278 7.5 p90 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 -166.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -68.06 -35.42 78.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.663 -1.273 . . . . 0.0 112.787 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -70.85 -51.66 25.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.488 1.115 . . . . 0.0 110.588 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 mt -47.62 -55.01 10.27 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 125.634 1.574 . . . . 0.0 113.747 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.98 -3.03 56.74 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -34.74 11.52 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.727 -1.233 . . . . 0.0 111.935 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -35.93 11.5 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.472 -1.393 . . . . 0.0 114.026 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 m -101.22 120.07 39.69 Favored 'General case' 0 CA--C 1.503 -0.844 0 O-C-N 120.409 -1.432 . . . . 0.0 107.878 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -91.38 162.83 14.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.741 0.782 . . . . 0.0 110.772 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm . . . . . 0 C--N 1.35 0.618 0 O-C-N 120.552 -1.343 . . . . 0.0 111.528 -173.663 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 CA--C 1.543 0.682 0 CA-C-O 121.118 0.485 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 49.5 t -48.7 -46.43 15.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 C-N-CA 127.024 2.129 . . . . 0.0 114.21 168.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.2 -40.86 71.26 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -84.19 -31.57 25.04 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.253 -1.53 . . . . 0.0 111.599 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 126.39 -9.34 7.37 Favored Glycine 0 CA--C 1.492 -1.353 0 O-C-N 120.849 -1.157 . . . . 0.0 112.266 165.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pp -83.3 131.45 35.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.539 1.637 . . . . 0.0 111.202 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 73.1 p -77.52 173.03 12.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 119.715 -1.866 . . . . 0.0 115.573 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.95 68.78 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.165 -1.585 . . . . 0.0 114.105 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -73.74 -17.76 61.07 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 122.604 1.192 . . . . 0.0 112.781 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.65 -39.82 43.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.564 -1.335 . . . . 0.0 110.12 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.71 72.97 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.224 1.01 . . . . 0.0 111.694 172.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -58.42 6.29 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.255 1.503 . . . . 0.0 114.569 164.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.29 -35.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 O-C-N 119.803 -1.811 . . . . 0.0 113.948 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.53 -46.93 83.75 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.884 1.274 . . . . 0.0 111.512 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.4 -29.82 64.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.127 -1.608 . . . . 0.0 112.759 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 32.5 mtp -81.09 -61.96 1.8 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-N 122.907 2.594 . . . . 0.0 114.28 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -90.2 -34.41 15.82 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.774 -1.204 . . . . 0.0 113.28 -169.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.12 -33.68 20.82 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.888 -0.508 . . . . 0.0 109.852 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 85.2 29.37 28.15 Favored Glycine 0 C--N 1.346 1.136 0 C-N-CA 124.974 1.273 . . . . 0.0 114.902 -174.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.03 120.87 64.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.744 1.772 . . . . 0.0 109.657 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.46 109.6 21.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.723 0.809 . . . . 0.0 109.58 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 4.8 ptm -122.65 50.04 1.55 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.839 1.256 . . . . 0.0 110.19 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -119.41 -36.74 3.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.962 1.305 . . . . 0.0 111.99 -152.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 m -94.3 -121.0 0.1 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.29 1.036 . . . . 0.0 109.167 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.43 107.92 19.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 122.894 2.588 . . . . 0.0 110.738 -167.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -119.93 123.31 43.25 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -85.48 179.03 7.22 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 122.496 1.141 . . . . 0.0 111.753 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 573' ' ' LEU . . . . . 0.461 ' H ' HD22 ' B' ' 573' ' ' LEU . 0.7 OUTLIER -76.08 -20.24 57.88 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.355 -1.466 . . . . 0.0 110.652 -178.686 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -69.93 -41.06 75.09 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 122.195 0.998 . . . . 0.0 109.933 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -76.47 -40.88 49.08 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.519 1.528 . . . . 0.0 114.732 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.01 -34.96 50.27 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 123.321 1.534 . . . . 0.0 111.241 163.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.14 39.4 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.158 -1.589 . . . . 0.0 112.794 169.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.48 -32.93 74.1 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 122.284 1.04 . . . . 0.0 109.736 -167.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -69.64 -25.25 63.83 Favored 'General case' 0 C--N 1.361 1.067 0 O-C-N 120.455 -1.403 . . . . 0.0 112.549 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -22.78 64.73 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 118.983 -2.323 . . . . 0.0 113.828 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -81.11 -67.76 0.75 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.415 1.486 . . . . 0.0 113.295 158.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 55.5 t -47.49 -63.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 C-N-CA 127.124 2.169 . . . . 0.0 114.642 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 5.1 m -59.68 -25.63 64.9 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -44.3 67.79 Favored 'General case' 0 C--N 1.363 1.171 0 O-C-N 118.679 -2.513 . . . . 0.0 109.949 173.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.61 -47.55 76.36 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.12 169.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -54.32 -43.97 71.65 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 120.044 -1.66 . . . . 0.0 113.529 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.39 -41.73 88.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.264 -1.522 . . . . 0.0 112.257 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -19.56 60.28 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 122.024 2.193 . . . . 0.0 108.777 -177.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.21 -36.37 69.15 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.239 -2.163 . . . . 0.0 113.338 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 63.6 mt -56.9 -48.17 81.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 126.361 1.864 . . . . 0.0 112.568 163.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.97 -55.87 27.51 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.059 2.144 . . . . 0.0 110.929 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -42.02 -47.84 4.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.561 1.944 . . . . 0.0 115.315 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -65.05 -48.33 74.19 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.757 -1.214 . . . . 0.0 112.323 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.84 -36.86 63.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.08 -13.28 60.47 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.179 -1.576 . . . . 0.0 114.022 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -92.5 -32.36 14.9 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.103 2.561 . . . . 0.0 108.059 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -71.93 -21.3 61.63 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.326 1.876 . . . . 0.0 114.254 166.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 66.8 mt -92.32 86.47 5.72 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.265 -1.522 . . . . 0.0 112.851 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -81.85 -2.54 51.41 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.383 -2.073 . . . . 0.0 115.252 172.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -83.79 115.86 61.81 Favored Pre-proline 0 C--N 1.348 0.5 0 O-C-N 119.143 -2.223 . . . . 0.0 110.28 161.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.458 -0.567 0 C-N-CA 122.611 2.208 . . . . 0.0 111.224 173.371 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.3 mttp . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 122.73 1.252 . . . . 0.0 112.818 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.22 -48.84 10.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 121.103 -0.998 . . . . 0.0 111.223 -176.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -64.02 -13.82 14.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 O-C-N 120.788 -1.195 . . . . 0.0 114.098 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -57.01 -52.09 66.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.026 -1.671 . . . . 0.0 112.45 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -70.77 -30.21 66.64 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.519 -1.363 . . . . 0.0 110.984 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.04 -46.39 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.624 0.77 . . . . 0.0 111.82 172.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -56.93 -38.23 72.59 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.438 -2.039 . . . . 0.0 113.778 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -59.89 -55.06 38.79 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 120.817 -1.177 . . . . 0.0 113.087 166.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.1 -46.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 C-N-CA 126.21 1.804 . . . . 0.0 113.535 172.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.15 -45.71 89.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 120.751 -1.218 . . . . 0.0 110.052 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -56.02 -54.3 46.5 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.824 1.249 . . . . 0.0 112.818 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.73 -26.86 18.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 O-C-N 121.213 -0.929 . . . . 0.0 112.084 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.55 61.36 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.395 -1.441 . . . . 0.0 112.529 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 t -75.38 -54.63 6.74 Favored 'General case' 0 C--N 1.362 1.15 0 CA-C-O 124.475 2.084 . . . . 0.0 105.956 -169.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.2 mt -28.95 -59.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.167 1 C-N-CA 132.81 4.444 . . . . 0.0 113.523 162.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.13 -47.89 68.31 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.519 1.152 . . . . 0.0 113.251 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.26 -49.18 56.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.776 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.94 -46.67 88.63 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.787 1.279 . . . . 0.0 111.382 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -87.52 -58.71 2.48 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 125.644 1.577 . . . . 0.0 112.528 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -107.37 2.14 24.2 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.907 -1.121 . . . . 0.0 112.772 -166.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.39 6.3 tpp180 63.62 -119.37 0.51 Allowed 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.975 1.71 . . . . 0.0 113.743 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.63 -11.17 9.47 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 121.1 1.773 . . . . 0.0 115.1 -163.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.26 -55.1 39.15 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.339 -1.476 . . . . 0.0 114.073 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -75.5 -34.38 29.55 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 O-C-N 120.691 -1.256 . . . . 0.0 113.561 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 27' ' ' VAL . 21.4 t -40.8 -45.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 128.566 2.746 . . . . 0.0 116.669 164.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -51.37 -46.73 62.86 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 123.564 1.649 . . . . 0.0 114.428 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -75.79 114.46 14.43 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 113.485 -1.689 . . . . 0.0 110.54 -163.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -77.02 -36.46 56.21 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.249 -1.532 . . . . 0.0 111.933 -160.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.96 -46.75 80.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.658 0.783 . . . . 0.0 111.755 172.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -57.13 -43.75 82.67 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.22 -51.74 68.48 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.559 -1.338 . . . . 0.0 113.46 -172.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.02 -50.75 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 1 C-N-CA 132.92 4.488 . . . . 0.0 112.394 162.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -25.27 66.09 Favored 'General case' 0 CA--C 1.543 0.711 1 O-C-N 116.099 -4.125 . . . . 0.0 116.918 175.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -31.79 72.66 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.389 1.876 . . . . 0.0 110.708 172.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.21 -46.55 67.14 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 120.591 -1.318 . . . . 0.0 110.363 174.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -61.49 -43.07 99.51 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.854 -1.779 . . . . 0.0 112.113 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.98 -49.55 2.49 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 169.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.1 pt -92.1 0.88 9.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 121.066 -1.022 . . . . 0.0 111.671 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.89 50.47 5.91 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 120.395 -1.44 . . . . 0.0 114.23 170.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -87.32 110.69 20.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.4 p -112.85 167.21 10.69 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.466 -1.396 . . . . 0.0 107.613 170.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -144.05 134.74 24.99 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 47.17 27.04 0.75 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 -0.5 89.33 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 120.622 -1.299 . . . . 0.0 115.086 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 118.892 1.346 . . . . 0.0 109.152 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -75.96 134.79 40.1 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 120.237 -1.54 . . . . 0.0 107.677 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.35 82.68 0.05 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -174.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.9 -172.63 3.24 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.933 2.093 . . . . 0.0 114.83 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -58.56 -70.91 0.13 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 -166.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -46.5 -46.94 19.41 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 126.237 1.815 . . . . 0.0 115.739 164.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -64.0 -31.95 73.33 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.092 -1.63 . . . . 0.0 115.023 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -66.58 -40.67 89.05 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.734 1.214 . . . . 0.0 110.371 169.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -71.34 -45.43 62.96 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.243 -1.536 . . . . 0.0 109.848 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -55.36 -43.04 74.71 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.943 2.097 . . . . 0.0 114.451 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.7 tt -65.63 -36.78 78.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 121.056 -1.027 . . . . 0.0 112.548 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.27 -49.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 128.209 2.604 . . . . 0.0 113.807 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.6 p -70.95 -34.42 71.46 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 119.568 -1.957 . . . . 0.0 113.875 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -94.76 25.39 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 123.183 2.72 . . . . 0.0 113.57 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.27 145.3 55.91 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-O 123.654 1.692 . . . . 0.0 113.788 164.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -81.11 148.91 29.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.818 1.247 . . . . 0.0 107.883 163.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.88 -37.43 87.36 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -172.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.9 -41.41 64.64 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 120.542 -1.348 . . . . 0.0 112.923 -173.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.8 -62.08 1.22 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 129.286 3.035 . . . . 0.0 114.305 167.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -66.4 -35.42 80.28 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -73.08 -26.74 61.37 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.091 -1.63 . . . . 0.0 110.143 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.0 m -58.71 -39.12 79.88 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 119.618 -1.927 . . . . 0.0 112.478 167.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.81 -53.63 51.27 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.625 -1.297 . . . . 0.0 112.807 166.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.84 -55.36 2.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 125.476 1.51 . . . . 0.0 112.556 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.83 -27.18 69.15 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.291 -1.506 . . . . 0.0 114.18 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -79.72 -66.47 0.87 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.996 -1.065 . . . . 0.0 110.77 170.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.07 94.77 4.32 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.857 1.313 . . . . 0.0 110.455 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.62 -52.89 63.77 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 127.224 2.209 . . . . 0.0 112.064 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.77 -32.97 74.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 125.152 1.381 . . . . 0.0 110.729 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.49 -59.95 7.87 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 125.459 1.504 . . . . 0.0 112.712 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -76.57 -45.69 29.39 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.59 -30.63 71.48 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.804 -1.81 . . . . 0.0 112.541 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.76 -59.26 11.13 Favored Glycine 0 CA--C 1.491 -1.411 0 C-N-CA 125.493 1.52 . . . . 0.0 114.029 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.54 -44.64 99.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 CA-C-N 118.394 1.097 . . . . 0.0 112.61 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -34.51 -67.11 0.15 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 127.774 2.43 . . . . 0.0 114.564 168.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.4 mtm-85 -59.84 -50.06 75.29 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.286 20.2 p90 -78.66 -27.74 45.3 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.8 -1.812 . . . . 0.0 113.776 -176.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.9 -50.41 73.88 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.83 -1.169 . . . . 0.0 112.706 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.99 -16.81 57.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.728 -1.232 . . . . 0.0 114.287 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 43.9 ttp -71.7 -56.3 6.07 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.929 -1.107 . . . . 0.0 111.901 169.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -82.13 -51.64 7.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 120.554 -1.341 . . . . 0.0 113.931 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.2 m -109.45 106.08 15.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.908 0.861 . . . . 0.0 111.329 -158.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -120.2 166.07 13.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.933 1.349 . . . . 0.0 113.524 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.358 0.969 0 C-N-CA 128.059 2.544 . . . . 0.0 111.349 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 121.144 0.497 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.08 -42.86 80.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 120.012 -1.68 . . . . 0.0 113.19 165.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.87 -55.05 37.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.617 -1.302 . . . . 0.0 113.473 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -80.13 -17.57 52.18 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 119.592 -1.943 . . . . 0.0 110.775 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 117.79 -22.25 10.04 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 112.746 161.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.06 144.96 38.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 22.2 p -82.35 158.72 23.27 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 113.157 -1.838 . . . . 0.0 112.421 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.2 -11.1 12.77 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.533 -1.98 . . . . 0.0 114.54 170.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -82.03 -25.56 34.54 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.385 -1.447 . . . . 0.0 110.444 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.26 -42.22 75.85 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.354 1.462 . . . . 0.0 111.203 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.65 -22.46 65.32 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.172 -0.955 . . . . 0.0 112.623 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.93 -63.21 1.11 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.641 1.21 . . . . 0.0 111.22 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.24 -27.54 42.93 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.72 -55.29 28.04 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 124.597 1.159 . . . . 0.0 111.381 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -56.18 -41.36 75.37 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.303 1.841 . . . . 0.0 112.804 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 28.2 mtt -73.94 -69.57 0.43 Allowed 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 119.323 -2.111 . . . . 0.0 114.331 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -97.59 -28.18 14.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.537 1.135 . . . . 0.0 113.897 -159.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.35 -26.92 21.97 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.343 1.428 . . . . 0.0 110.36 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 84.79 35.03 13.87 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 120.86 -1.15 . . . . 0.0 114.465 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 24.6 mt -109.77 112.21 39.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 169.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -96.28 91.65 5.98 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.873 1.321 . . . . 0.0 107.947 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -114.31 49.7 1.0 Allowed 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 120.886 -1.133 . . . . 0.0 109.683 -169.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -96.83 46.48 1.05 Allowed 'General case' 0 C--N 1.349 0.548 0 O-C-N 119.172 -2.205 . . . . 0.0 111.606 -161.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 5.7 t -173.0 173.61 3.67 Favored 'General case' 0 CA--C 1.507 -0.676 0 O-C-N 120.099 -1.626 . . . . 0.0 107.585 -152.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -70.3 137.41 50.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 115.284 -169.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -129.19 127.63 41.71 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.442 162.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 74.4 p -72.16 163.03 28.61 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.747 1.219 . . . . 0.0 110.956 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.0 -31.2 68.59 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 118.065 2.617 . . . . 0.0 118.065 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -69.85 -44.95 68.82 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.622 -1.299 . . . . 0.0 111.341 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.62 -41.96 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 127.376 2.27 . . . . 0.0 113.804 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.7 -46.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 C-N-CA 126.013 1.725 . . . . 0.0 111.403 166.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -64.14 -37.53 94.69 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 121.286 -0.884 . . . . 0.0 113.691 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.01 -39.73 72.22 Favored 'General case' 0 C--N 1.371 1.504 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -176.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -41.35 72.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 129.25 3.02 . . . . 0.0 111.827 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.31 -58.3 6.91 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.201 2.2 . . . . 0.0 111.96 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.05 -53.42 50.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 116.963 2.208 . . . . 0.0 116.963 165.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 74.8 t -50.45 -58.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.599 0 C-N-CA 125.56 1.544 . . . . 0.0 112.747 172.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 32.4 m -48.66 -43.51 36.78 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.312 -2.117 . . . . 0.0 115.245 166.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 56.8 ttp85 -64.89 -46.03 83.45 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 123.517 1.627 . . . . 0.0 109.607 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -60.37 -37.51 80.95 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.848 1.659 . . . . 0.0 111.53 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.55 -30.04 70.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.404 -2.06 . . . . 0.0 112.026 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 76.7 mt -70.71 -46.3 69.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 118.966 -2.334 . . . . 0.0 111.783 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 39.8 tpt85 -42.36 -46.48 4.65 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 119.158 3.022 . . . . 0.0 119.158 152.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -64.19 -41.92 96.87 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 119.328 -2.108 . . . . 0.0 114.082 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.08 -42.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.894 -1.754 . . . . 0.0 113.695 167.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.46 -55.6 29.83 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.272 2.229 . . . . 0.0 111.632 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.76 71.94 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.947 2.099 . . . . 0.0 113.855 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -66.23 -47.64 73.15 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.677 -1.264 . . . . 0.0 110.87 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.6 69.14 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 174.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.07 -13.28 60.47 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 120.18 -1.575 . . . . 0.0 112.853 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -87.38 -28.61 22.08 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.829 2.051 . . . . 0.0 109.187 170.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -69.22 -29.33 67.26 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 119.42 -2.05 . . . . 0.0 114.283 165.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.55 94.87 10.03 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 123.262 1.506 . . . . 0.0 110.446 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -83.89 -28.25 28.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 119.267 -2.146 . . . . 0.0 114.606 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -81.15 119.05 74.83 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 121.015 -1.053 . . . . 0.0 110.545 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo . . . . . 0 N--CA 1.46 -0.496 0 C-N-CA 122.305 2.003 . . . . 0.0 113.954 -165.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm . . . . . 0 N--CA 1.442 -0.836 0 CA-C-O 122.581 1.181 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -101.08 -30.84 11.37 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -164.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.8 mm -66.47 -24.97 34.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 123.882 0.873 . . . . 0.0 112.585 -160.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -52.82 63.81 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.454 1.501 . . . . 0.0 113.392 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 m -72.8 -34.18 66.74 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.259 -1.526 . . . . 0.0 111.981 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.86 -45.15 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.917 -0.489 . . . . 0.0 111.407 166.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -56.32 -43.96 79.49 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 119.709 -1.869 . . . . 0.0 114.856 165.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.08 -62.11 1.87 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.756 1.616 . . . . 0.0 113.082 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -43.39 -48.66 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 128.029 2.532 . . . . 0.0 114.155 172.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.33 -52.18 63.21 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 124.16 0.984 . . . . 0.0 110.492 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 m -61.1 -54.67 41.69 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.802 -1.186 . . . . 0.0 112.801 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.9 -33.33 60.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 O-C-N 120.925 -1.109 . . . . 0.0 112.343 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -28.75 67.84 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.054 -1.654 . . . . 0.0 114.27 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -69.9 -47.37 62.78 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 123.0 1.381 . . . . 0.0 108.1 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -31.79 -66.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 129.09 2.956 . . . . 0.0 115.439 157.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.08 -54.68 9.84 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.177 1.942 . . . . 0.0 112.866 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.59 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 C-N-CA 128.963 2.905 . . . . 0.0 111.49 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -83.77 -32.23 25.52 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.5 -2.0 . . . . 0.0 113.844 -166.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.41 -67.32 0.59 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.199 1.0 . . . . 0.0 112.032 174.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -104.11 -18.3 14.58 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.6 -0.687 . . . . 0.0 112.234 -162.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 76.71 -175.59 0.11 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 126.021 1.728 . . . . 0.0 115.007 164.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 55.1 mp0 -42.23 -8.11 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 C-N-CA 129.621 3.169 . . . . 0.0 117.518 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.31 -49.43 42.77 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 125.76 1.624 . . . . 0.0 111.558 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.12 -52.85 11.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 O-C-N 119.402 -2.061 . . . . 0.0 109.606 172.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 24' ' ' GLU . 72.5 t -36.63 -40.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 130.253 3.421 . . . . 0.0 116.99 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -50.47 -33.21 20.36 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.862 1.265 . . . . 0.0 113.735 175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -89.3 104.78 17.3 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 120.527 -1.358 . . . . 0.0 109.06 -164.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -51.43 -52.59 44.87 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.51 -50.59 69.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.358 1.463 . . . . 0.0 113.607 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -57.77 -41.26 81.64 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.132 2.173 . . . . 0.0 113.461 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.94 -53.14 61.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.798 -1.188 . . . . 0.0 112.603 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.27 -34.96 56.01 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 O-C-N 120.884 -1.135 . . . . 0.0 108.589 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -22.86 15.61 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -35.46 63.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.193 1.397 . . . . 0.0 110.34 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.46 -45.72 75.13 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-O 123.098 1.428 . . . . 0.0 109.709 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.21 18.77 0.14 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.374 1.47 . . . . 0.0 114.366 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -49.96 4.02 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.481 2.312 . . . . 0.0 108.033 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.7 pt -98.97 2.14 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.928 1.691 . . . . 0.0 109.828 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.37 52.52 12.81 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 124.921 1.248 . . . . 0.0 115.161 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.11 79.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.541 0 CA-C-N 118.522 1.161 . . . . 0.0 109.682 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -97.48 122.29 40.36 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.617 -1.302 . . . . 0.0 113.167 -170.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -90.59 138.01 31.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.057 -2.277 . . . . 0.0 111.305 170.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 46.92 36.68 4.17 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.554 1.942 . . . . 0.0 113.442 -173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.93 -0.44 72.27 Favored Glycine 0 C--N 1.345 1.032 0 C-N-CA 125.872 1.701 . . . . 0.0 115.427 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -115.58 154.9 28.58 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.481 -1.011 . . . . 0.0 110.4 -171.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -77.48 127.68 32.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.005 -1.685 . . . . 0.0 110.726 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 83.01 5.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.099 -1.626 . . . . 0.0 115.012 -168.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -74.7 171.99 12.92 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.46 -1.4 . . . . 0.0 111.024 167.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -40.93 -46.12 2.72 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 118.051 2.612 . . . . 0.0 118.051 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -47.81 -63.92 0.93 Allowed 'General case' 0 C--N 1.351 0.65 0 C-N-CA 125.95 1.7 . . . . 0.0 115.096 166.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -66.77 -33.22 75.15 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 125.044 1.338 . . . . 0.0 112.104 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -63.58 -51.95 63.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.737 1.615 . . . . 0.0 111.912 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.999 -1.688 . . . . 0.0 112.622 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -53.09 -49.68 65.95 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.053 1.341 . . . . 0.0 113.987 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.66 -25.32 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.82 -1.175 . . . . 0.0 113.628 -173.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.0 t -87.02 -38.03 11.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 128.195 2.598 . . . . 0.0 112.105 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -56.52 -61.45 2.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.876 1.67 . . . . 0.0 115.137 164.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -89.94 72.3 7.48 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.71 135.58 54.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -79.5 152.56 30.14 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.635 1.574 . . . . 0.0 109.993 -170.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.58 -58.6 3.51 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 -165.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.04 -50.74 61.02 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.781 -2.449 . . . . 0.0 113.349 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.318 45.9 m-20 -21.08 -68.37 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 150.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.31 -34.92 71.1 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 119.809 -1.807 . . . . 0.0 114.709 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.95 -37.89 46.56 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 124.972 1.309 . . . . 0.0 109.545 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -52.22 -51.34 58.87 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 127.387 2.275 . . . . 0.0 112.288 163.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.53 -55.99 26.87 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.749 -1.22 . . . . 0.0 113.327 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -45.72 -43.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.284 1.434 . . . . 0.0 113.229 168.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.07 -29.98 69.9 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -81.64 -74.39 0.34 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.17 1.388 . . . . 0.0 109.963 171.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -86.44 82.13 8.07 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.915 2.486 . . . . 0.0 109.309 -175.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.59 -52.51 13.22 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 119.939 -1.725 . . . . 0.0 110.396 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.86 -35.27 62.34 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.983 -1.073 . . . . 0.0 110.314 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.71 91.78 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 115.146 0.819 . . . . 0.0 115.146 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -68.17 -59.35 3.29 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.185 1.493 . . . . 0.0 111.454 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.84 -30.91 71.85 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 123.587 0.755 . . . . 0.0 111.924 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.03 -57.79 17.96 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.982 1.277 . . . . 0.0 113.586 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.92 -36.46 57.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 120.674 -1.486 . . . . 0.0 113.645 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.59 -65.75 0.52 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -71.17 -30.88 66.97 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -40.21 81.96 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.722 1.146 . . . . 0.0 111.51 172.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.24 -53.47 43.88 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.643 1.577 . . . . 0.0 112.184 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -63.19 -24.2 67.77 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -83.27 -50.68 8.15 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.347 1.459 . . . . 0.0 112.251 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -70.0 -50.45 41.5 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -175.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 p -89.36 97.97 11.5 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.701 1.137 . . . . 0.0 108.364 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -93.59 96.41 9.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.646 -1.283 . . . . 0.0 110.052 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 pttm . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.908 -1.12 . . . . 0.0 112.299 -177.158 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.9 t -53.65 -47.9 60.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 113.101 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.13 -53.12 61.89 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 126.907 2.083 . . . . 0.0 113.717 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.17 -44.08 26.88 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 121.143 -0.973 . . . . 0.0 110.9 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 134.88 -18.64 4.02 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 115.621 1.008 . . . . 0.0 115.621 165.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.71 134.78 34.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.38 1.59 . . . . 0.0 110.278 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 60.7 p -69.63 167.73 16.32 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -48.79 -35.66 14.9 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 126.022 1.729 . . . . 0.0 115.454 158.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -63.52 -48.97 75.38 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 123.466 1.603 . . . . 0.0 111.226 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 128.085 2.554 . . . . 0.0 111.224 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.9 68.57 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.364 1.465 . . . . 0.0 113.573 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.21 -46.51 41.41 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 120.67 -1.269 . . . . 0.0 110.335 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 39.6 t -54.8 -37.85 42.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 119.15 -2.218 . . . . 0.0 113.637 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.85 -53.88 46.36 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.053 1.741 . . . . 0.0 113.455 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -82.92 -3.85 57.49 Favored 'General case' 0 C--N 1.342 0.267 0 O-C-N 120.197 -1.564 . . . . 0.0 114.242 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 64.7 mtm -89.17 -68.22 0.79 Allowed 'General case' 0 C--N 1.351 0.647 0 O-C-N 119.991 -1.693 . . . . 0.0 112.44 167.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -99.98 -36.38 9.4 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.313 -1.492 . . . . 0.0 112.796 -166.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -76.56 -19.24 58.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.869 -1.144 . . . . 0.0 109.312 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.2 30.41 71.78 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 125.362 1.458 . . . . 0.0 115.728 169.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -97.75 123.65 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.06 98.31 10.79 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.312 -0.868 . . . . 0.0 109.317 -170.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptp -118.43 133.29 56.0 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 173.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.2 p30 176.2 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.471 1.487 . . . . 0.0 111.598 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -175.3 5.01 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 120.371 -1.455 . . . . 0.0 109.672 173.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.06 119.1 12.13 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 122.15 0.976 . . . . 0.0 112.194 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -110.86 131.77 54.77 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 3.0 m -71.02 150.33 45.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 124.469 1.108 . . . . 0.0 109.355 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.33 -24.94 61.22 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 119.464 -2.022 . . . . 0.0 114.928 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.09 -48.88 74.46 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.094 -1.629 . . . . 0.0 113.589 163.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.534 1.534 . . . . 0.0 113.782 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.0 t -53.6 -46.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 125.541 1.536 . . . . 0.0 112.182 168.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.28 -44.07 96.78 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.097 -1.002 . . . . 0.0 113.799 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -73.36 -25.13 60.46 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.162 0.982 . . . . 0.0 110.999 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -70.81 -23.99 62.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 119.394 -2.066 . . . . 0.0 112.7 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -74.32 -63.72 1.17 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 125.002 1.321 . . . . 0.0 112.57 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -16.76 -65.3 0.01 OUTLIER 'General case' 0 C--N 1.354 0.791 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 147.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.15 -58.99 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.42 1.488 . . . . 0.0 112.442 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 27.2 m -44.49 -47.49 10.04 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 167.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -69.65 -37.91 76.93 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.46 -2.025 . . . . 0.0 111.84 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -56.76 -49.54 74.96 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.37 1.468 . . . . 0.0 112.199 165.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -55.07 -39.58 69.4 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 587' ' ' ILE . . . . . 0.414 ' HA ' HD12 ' B' ' 590' ' ' ILE . 90.1 mt -59.11 -38.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 O-C-N 121.013 -1.055 . . . . 0.0 112.164 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -73.49 -17.13 61.26 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 121.69 2.041 . . . . 0.0 110.371 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -78.47 -38.13 41.81 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 124.721 1.208 . . . . 0.0 112.256 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 590' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' B' ' 587' ' ' ILE . 91.6 mt -54.57 -50.11 61.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 120.329 -1.482 . . . . 0.0 112.769 168.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.42 -55.83 19.1 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 129.624 3.17 . . . . 0.0 112.235 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -45.76 -44.49 13.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.637 1.975 . . . . 0.0 114.693 172.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -81.64 -42.4 20.05 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.139 -0.975 . . . . 0.0 112.387 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.28 76.25 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 125.305 1.442 . . . . 0.0 113.989 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.61 -0.89 16.7 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 171.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -98.35 -25.6 14.77 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 119.888 -1.758 . . . . 0.0 109.208 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -69.93 -23.45 63.21 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 170.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.29 -179.12 6.06 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.308 1.043 . . . . 0.0 110.02 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -164.44 -36.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.2 -0.937 . . . . 0.0 112.828 -164.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -73.69 157.61 87.29 Favored Pre-proline 0 C--N 1.351 0.657 0 O-C-N 120.234 -1.541 . . . . 0.0 111.424 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo . . . . . 0 C--N 1.332 -0.319 0 CA-C-N 122.473 1.919 . . . . 0.0 115.369 179.223 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp . . . . . 0 N--CA 1.43 -1.427 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -67.73 -39.12 84.32 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.056 -2.277 . . . . 0.0 113.575 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.442 HD13 ' HB3' ' A' ' 65' ' ' ASP . 9.1 tp -65.74 -35.08 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.05 -46.22 71.88 Favored 'General case' 0 N--CA 1.429 -1.499 1 C-N-CA 131.749 4.02 . . . . 0.0 110.154 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.3 m -78.87 -35.3 44.01 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 127.275 2.23 . . . . 0.0 112.656 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.92 -45.23 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 120.004 -1.685 . . . . 0.0 111.778 169.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -52.16 -37.42 54.49 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 118.872 -2.392 . . . . 0.0 116.766 167.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.95 -51.43 58.63 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.47 -44.73 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.937 2.095 . . . . 0.0 111.678 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.52 -50.49 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.724 -2.485 . . . . 0.0 114.225 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -66.82 -40.95 88.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -167.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.68 -33.58 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.17 66.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.304 -1.498 . . . . 0.0 113.826 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -55.0 -54.57 41.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 113.186 168.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.7 -39.66 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.94 -36.09 79.52 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.872 -1.767 . . . . 0.0 113.4 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 mm -68.71 -29.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 O-C-N 117.587 -3.195 . . . . 0.0 109.937 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -70.61 -53.98 13.79 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.58 -1.325 . . . . 0.0 113.079 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -82.18 -43.95 17.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -110.93 -33.28 6.56 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.383 -2.073 . . . . 0.0 113.61 -176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.26 39.5 mtm180 84.92 -144.35 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.108 2.963 . . . . 0.0 113.976 -174.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.6 -19.84 62.07 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.328 -2.732 . . . . 0.0 116.973 -167.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -54.53 -37.9 65.94 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.178 2.991 . . . . 0.0 115.898 -171.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.8 mt -76.26 -46.49 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 O-C-N 119.611 -1.931 . . . . 0.0 111.387 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -19.57 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.938 -1.727 . . . . 0.0 112.009 -172.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.94 2.496 . . . . 0.0 111.103 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -92.62 140.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.733 1.254 . . . . 0.0 110.515 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.69 -40.14 34.66 Favored 'General case' 0 N--CA 1.43 -1.428 1 O-C-N 116.275 -4.016 . . . . 0.0 111.356 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -58.26 9.37 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -58.09 -44.16 87.46 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -64.67 -35.08 79.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.19 -43.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.91 -2.369 . . . . 0.0 110.187 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.06 -42.14 27.76 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.676 2.39 . . . . 0.0 115.851 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.12 -50.26 74.73 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.985 1.314 . . . . 0.0 114.453 171.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.69 -39.5 91.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.517 1.627 . . . . 0.0 114.04 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.51 -33.81 71.63 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.917 -1.114 . . . . 0.0 113.821 175.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -54.41 -58.48 7.28 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.71 -1.869 . . . . 0.0 115.123 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 pt -75.68 -28.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.801 -1.812 . . . . 0.0 113.106 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.91 65.72 1.09 Allowed Glycine 0 N--CA 1.43 -1.712 0 CA-C-N 120.578 1.535 . . . . 0.0 113.284 165.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.2 148.21 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 166.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -156.42 142.42 18.05 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -136.95 128.81 29.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.858 2.063 . . . . 0.0 107.61 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 52.36 32.09 10.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.047 2.539 . . . . 0.0 117.152 -170.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.44 -10.54 66.5 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 118.407 -2.683 . . . . 0.0 112.103 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -102.44 128.59 48.98 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 124.206 1.955 . . . . 0.0 112.292 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -79.08 135.14 36.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 118.459 -2.65 . . . . 0.0 113.154 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 ' H ' ' A' ' 49' ' ' LEU 0.472 0.0 OUTLIER -75.52 96.83 3.57 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 -166.544 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -77.9 177.48 8.2 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.42 -1.425 . . . . 0.0 110.851 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -33.4 -54.55 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 130.952 3.701 . . . . 0.0 115.654 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -61.43 -50.46 72.72 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.783 2.033 . . . . 0.0 114.0 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -70.97 -32.81 69.78 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.691 2.396 . . . . 0.0 110.891 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.23 -54.44 44.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.413 2.285 . . . . 0.0 110.175 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -67.33 -26.75 66.66 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.895 1.678 . . . . 0.0 113.854 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.36 -67.33 0.46 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.765 1.226 . . . . 0.0 111.095 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.2 tt -66.16 -32.21 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -167.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.91 -18.55 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.258 -1.527 . . . . 0.0 112.585 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -99.53 -45.17 5.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.71 -10.77 60.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.937 2.94 . . . . 0.0 118.937 -171.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.24 159.83 30.44 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . 0.255 20.5 p -76.38 174.84 9.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.313 -2.117 . . . . 0.0 114.141 -166.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.14 -49.67 66.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.602 3.161 . . . . 0.0 112.999 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -73.8 -39.67 63.96 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.341 2.256 . . . . 0.0 111.968 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' HB3' HD13 ' A' ' 5' ' ' ILE . 71.7 m-20 -51.0 -58.76 5.23 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.34 -36.26 78.99 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.939 -1.725 . . . . 0.0 109.526 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -59.9 -45.32 92.92 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.02 -1.675 . . . . 0.0 113.901 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.5 m -56.02 -45.45 79.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 124.726 2.203 . . . . 0.0 113.278 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.84 -43.61 83.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.327 -2.108 . . . . 0.0 111.98 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.42 -52.74 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 124.644 1.178 . . . . 0.0 112.999 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -63.52 -20.58 65.73 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -89.09 -64.76 1.1 Allowed 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.409 1.084 . . . . 0.0 112.351 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -118.58 96.92 5.49 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.991 -1.693 . . . . 0.0 107.98 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.75 -56.0 9.47 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.568 1.147 . . . . 0.0 111.769 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.23 -35.44 80.34 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.994 -1.691 . . . . 0.0 113.836 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.71 -52.95 49.28 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 125.807 1.67 . . . . 0.0 113.751 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -60.89 -60.83 3.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.826 -1.985 . . . . 0.0 113.267 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.67 -40.1 59.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -52.3 27.8 Favored Glycine 0 N--CA 1.429 -1.785 0 C-N-CA 125.586 1.565 . . . . 0.0 111.917 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.5 t -59.63 -46.67 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 125.666 1.587 . . . . 0.0 111.038 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -54.12 -50.13 67.6 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.837 1.655 . . . . 0.0 114.892 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -67.44 -41.84 84.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.48 -29.73 65.16 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.616 -1.302 . . . . 0.0 112.875 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.3 mt -54.93 -50.67 68.28 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.535 -2.603 . . . . 0.0 113.288 166.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -74.71 -28.27 60.73 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.267 -2.146 . . . . 0.0 113.366 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.8 tpp -68.27 -53.35 25.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.758 1.266 . . . . 0.0 112.313 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -108.17 -44.81 4.07 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.106 -2.246 . . . . 0.0 112.795 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.2 m -89.33 96.98 10.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.899 -1.751 . . . . 0.0 111.339 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.35 163.35 12.9 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.496 3.147 . . . . 0.0 119.496 -165.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 N--CA 1.43 -1.468 0 O-C-N 120.161 -1.587 . . . . 0.0 111.058 -178.718 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 120.611 0.243 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 79.9 t -70.21 -36.1 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 111.952 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 84.5 mt -72.23 -49.43 35.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.359 -1.463 . . . . 0.0 111.3 172.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.26 -59.63 3.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -175.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.66 -24.7 9.47 Favored Glycine 0 N--CA 1.43 -1.715 0 C-N-CA 123.836 0.731 . . . . 0.0 111.389 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.55 142.01 36.12 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 166.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.37 162.66 14.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.652 -1.28 . . . . 0.0 111.381 175.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.84 -22.3 14.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.569 -2.582 . . . . 0.0 115.746 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -76.46 -27.04 55.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -78.17 -35.88 48.18 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.61 -2.556 . . . . 0.0 106.366 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.47 74.52 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 167.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.62 -47.2 80.17 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 124.614 2.149 . . . . 0.0 113.416 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.54 -40.55 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 117.554 -3.216 . . . . 0.0 114.445 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.5 -32.91 69.25 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -81.77 -45.78 15.15 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.067 -1.646 . . . . 0.0 115.213 170.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 60.2 mtm -60.25 -52.9 63.32 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.983 -1.698 . . . . 0.0 114.078 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -104.14 -55.93 2.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.74 -40.28 95.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 127.105 2.162 . . . . 0.0 110.73 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.26 54.28 2.31 Favored Glycine 0 N--CA 1.43 -1.764 0 C-N-CA 126.071 1.796 . . . . 0.0 111.493 165.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.6 mt -119.71 134.42 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.05 104.23 14.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 123.343 0.657 . . . . 0.0 110.13 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -141.04 67.43 1.35 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.47 -1.394 . . . . 0.0 110.442 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.7 -3.51 17.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.13 -2.856 . . . . 0.0 116.243 -171.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . 0.263 4.4 m -97.41 -107.48 0.17 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 122.291 1.043 . . . . 0.0 113.528 -165.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -110.72 150.12 29.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.61 -1.931 . . . . 0.0 110.6 -173.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 571' ' ' TYR . . . . . 0.413 ' HB3' HG23 ' B' ' 576' ' ' VAL . 9.7 m-85 -136.27 139.69 42.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.586 -1.946 . . . . 0.0 108.514 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 33.0 p -104.11 179.08 4.37 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.495 1.918 . . . . 0.0 109.195 156.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.31 -45.11 89.34 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.703 -1.873 . . . . 0.0 110.163 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.58 -47.7 76.01 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 171.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.09 -32.52 74.26 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.792 -1.817 . . . . 0.0 114.146 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 576' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' B' ' 571' ' ' TYR . 86.9 t -62.18 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.686 2.494 . . . . 0.0 111.826 166.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.85 -35.96 91.53 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.876 -2.39 . . . . 0.0 113.929 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.93 -54.73 41.45 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.425 -2.22 . . . . 0.0 113.208 173.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.65 -28.13 69.7 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.21 -59.08 5.64 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.749 -1.844 . . . . 0.0 111.285 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.79 -30.72 71.74 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.06 -51.2 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 168.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 81.1 m -59.56 -44.04 93.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.438 1.895 . . . . 0.0 112.05 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -55.77 -46.67 77.86 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.403 1.881 . . . . 0.0 114.52 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.59 -30.72 68.55 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.092 -2.88 . . . . 0.0 114.69 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -64.52 -37.75 88.63 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.458 1.123 . . . . 0.0 111.676 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.17 -47.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 124.836 1.254 . . . . 0.0 112.403 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.84 -28.66 64.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -62.74 -40.63 97.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.224 -1.547 . . . . 0.0 112.231 165.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.38 -49.37 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 119.301 -2.124 . . . . 0.0 111.284 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -53.77 -51.42 63.47 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.802 2.441 . . . . 0.0 115.213 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -48.92 -56.04 10.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.603 1.961 . . . . 0.0 114.119 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -64.5 -42.72 95.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.998 1.319 . . . . 0.0 113.764 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.49 88.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.33 -37.06 82.69 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.05 1.74 . . . . 0.0 112.262 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -65.86 -38.82 89.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 117.621 -3.174 . . . . 0.0 114.042 169.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -68.28 -31.72 71.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.864 2.066 . . . . 0.0 116.025 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.28 95.57 5.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.437 -2.039 . . . . 0.0 111.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -74.8 -3.72 33.45 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 118.012 2.597 . . . . 0.0 118.012 -161.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.99 138.84 21.63 Favored Pre-proline 0 N--CA 1.431 -1.418 0 CA-C-O 115.99 -1.957 . . . . 0.0 106.216 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.434 -1.994 0 C-N-CA 124.177 3.251 . . . . 0.0 109.768 -158.11 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp . . . . . 0 N--CA 1.445 -0.715 0 CA-C-O 122.149 0.976 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -74.31 -41.72 60.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.752 -1.217 . . . . 0.0 111.038 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.643 HD13 HD21 ' A' ' 61' ' ' LEU . 10.7 tp -61.45 -22.39 27.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 124.789 1.235 . . . . 0.0 114.275 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.64 -50.61 72.58 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 126.499 1.92 . . . . 0.0 111.345 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 m -65.88 -43.1 89.33 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.506 -1.371 . . . . 0.0 112.095 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.39 -48.52 56.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 C-N-CA 123.377 0.671 . . . . 0.0 112.407 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -50.4 -44.29 54.97 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.457 -1.402 . . . . 0.0 114.654 169.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.75 -59.6 5.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.624 -1.297 . . . . 0.0 113.223 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.14 -47.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 126.36 1.864 . . . . 0.0 112.768 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.1 -42.11 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 O-C-N 121.358 -0.839 . . . . 0.0 111.488 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 m -53.7 -52.34 60.39 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.56 -1.337 . . . . 0.0 113.08 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.73 -31.08 40.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 O-C-N 120.364 -1.46 . . . . 0.0 112.695 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.71 64.32 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 119.871 -1.768 . . . . 0.0 112.892 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.9 m -72.98 -51.32 18.79 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.748 1.737 . . . . 0.0 107.33 -172.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 17' ' ' ILE . 16.6 mt -33.28 -56.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 128.815 2.846 . . . . 0.0 115.592 159.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -47.2 -50.23 21.24 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-O 123.226 1.489 . . . . 0.0 112.915 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.03 -53.52 33.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 128.433 2.693 . . . . 0.0 110.375 -178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -66.71 -42.36 86.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 123.933 1.825 . . . . 0.0 112.52 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.93 -58.59 2.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 113.255 -1.793 . . . . 0.0 110.821 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -100.63 1.26 40.52 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.034 -1.041 . . . . 0.0 112.474 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.289 1.1 tpp180 64.34 -123.43 0.48 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 125.116 1.366 . . . . 0.0 112.136 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.4 -2.22 31.41 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.925 2.148 . . . . 0.0 113.093 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -42.26 -68.97 0.15 Allowed 'General case' 0 C--N 1.35 0.602 0 C-N-CA 128.13 2.572 . . . . 0.0 116.457 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.5 pt -87.31 -23.34 6.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 O-C-N 120.169 -1.582 . . . . 0.0 111.824 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t -61.3 -51.36 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 128.819 2.847 . . . . 0.0 113.56 170.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -55.23 -59.25 5.05 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.496 1.519 . . . . 0.0 113.443 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 102.87 1.93 Allowed 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.854 1.662 . . . . 0.0 110.61 -169.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -55.11 -56.57 18.38 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -159.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -40.08 67.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.259 1.423 . . . . 0.0 114.102 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -56.69 -41.63 77.69 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.333 1.453 . . . . 0.0 114.094 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -62.1 -63.88 1.11 Allowed 'General case' 0 CA--C 1.555 1.163 0 O-C-N 119.479 -2.013 . . . . 0.0 114.045 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.49 ' H ' HG13 ' A' ' 34' ' ' ILE . 6.3 mt -27.52 -67.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 128.595 2.758 . . . . 0.0 114.99 144.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.2 -28.89 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 118.303 -2.748 . . . . 0.0 116.214 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.03 -39.32 75.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.717 1.607 . . . . 0.0 111.309 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.41 -46.2 80.95 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-O 122.877 1.322 . . . . 0.0 112.474 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.29 -46.25 91.1 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.428 -1.42 . . . . 0.0 113.077 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -33.17 -56.71 0.4 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.606 2.362 . . . . 0.0 115.826 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.52 -7.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 O-C-N 121.798 -0.564 . . . . 0.0 111.973 -173.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.19 66.12 1.64 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 120.311 -1.493 . . . . 0.0 115.025 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -101.42 112.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 167.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.1 p -113.18 170.06 8.49 Favored 'General case' 0 C--N 1.368 1.39 0 CA-C-O 122.811 1.291 . . . . 0.0 112.011 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -137.53 140.02 40.84 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 48.26 35.03 5.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.436 1.894 . . . . 0.0 113.469 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.22 -2.47 86.98 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.879 1.705 . . . . 0.0 115.339 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -110.81 132.21 54.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.867 1.667 . . . . 0.0 109.612 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.43 125.55 29.51 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.316 -1.49 . . . . 0.0 108.975 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -75.47 105.9 6.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 123.937 1.827 . . . . 0.0 115.836 -161.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -75.53 -177.1 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.368 -1.458 . . . . 0.0 112.954 168.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -55.64 -41.11 73.11 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.35 1.46 . . . . 0.0 114.76 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -53.23 -63.58 1.1 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.226 2.21 . . . . 0.0 111.787 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -59.24 -43.7 92.38 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.907 -1.121 . . . . 0.0 113.454 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -53.37 -52.54 58.94 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.352 1.861 . . . . 0.0 113.603 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -80.29 -28.7 38.23 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.687 -1.258 . . . . 0.0 112.48 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.66 -41.23 84.11 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.115 -1.615 . . . . 0.0 114.223 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.1 tt -67.4 -37.47 79.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 O-C-N 119.859 -1.776 . . . . 0.0 112.726 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.19 -40.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 C-N-CA 128.647 2.779 . . . . 0.0 113.475 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -93.52 -19.64 21.02 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 119.283 -2.136 . . . . 0.0 114.238 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.72 21.15 11.79 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 122.641 2.473 . . . . 0.0 111.981 162.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.643 HD21 HD13 ' A' ' 5' ' ' ILE . 1.6 tt -64.17 138.6 58.52 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.791 1.636 . . . . 0.0 113.056 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 61' ' ' LEU . 26.0 m -75.35 143.02 43.07 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.319 1.448 . . . . 0.0 112.383 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.56 -51.12 62.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.363 -2.085 . . . . 0.0 116.312 -168.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.15 -34.46 76.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 119.402 -2.062 . . . . 0.0 114.314 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 17.3 m-20 -55.38 -54.54 42.37 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.723 1.609 . . . . 0.0 114.339 171.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HB3' HD22 ' A' ' 61' ' ' LEU . 19.6 ptmt -61.72 -39.81 92.85 Favored 'General case' 0 C--N 1.369 1.438 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.827 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -71.68 -32.52 67.93 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 121.534 -0.729 . . . . 0.0 110.89 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 m -56.73 -39.27 73.65 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.436 -1.415 . . . . 0.0 112.922 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.96 -55.05 14.17 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.8 -1.813 . . . . 0.0 112.191 169.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.3 mm -45.96 -54.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 127.057 2.143 . . . . 0.0 112.321 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.24 -19.46 65.98 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.716 -1.24 . . . . 0.0 113.323 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -87.37 -64.04 1.21 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.883 -1.136 . . . . 0.0 111.118 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -98.97 84.36 3.06 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 126.639 1.975 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -67.53 -51.69 47.85 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.914 -1.117 . . . . 0.0 113.412 -174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.05 -41.63 12.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.736 1.214 . . . . 0.0 109.981 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.12 -47.47 89.65 Favored Glycine 0 C--N 1.351 1.396 0 C-N-CA 125.218 1.39 . . . . 0.0 115.02 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 -55.05 5.73 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.5 -1.588 . . . . 0.0 111.521 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -59.12 -42.67 91.14 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 125.534 1.534 . . . . 0.0 112.016 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.14 -22.81 71.05 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 124.873 1.225 . . . . 0.0 115.199 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.3 t -88.48 -52.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 121.331 2.565 . . . . 0.0 111.038 172.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.05 -24.23 61.49 Favored 'General case' 0 C--N 1.362 1.142 0 O-C-N 119.88 -1.762 . . . . 0.0 113.48 -166.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -75.4 -35.31 61.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.15 -0.969 . . . . 0.0 111.553 170.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -67.34 -37.31 83.05 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.665 -1.272 . . . . 0.0 111.266 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.3 tt -49.18 -54.02 18.45 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.86 1.264 . . . . 0.0 112.74 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -79.66 -22.1 43.93 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.0 mtp -66.0 -33.54 76.04 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.987 -1.695 . . . . 0.0 111.795 167.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -74.78 -55.62 5.65 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.125 -0.984 . . . . 0.0 113.002 170.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -100.81 95.95 6.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.316 1.417 . . . . 0.0 111.857 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -85.71 118.44 25.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.836 1.254 . . . . 0.0 111.301 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 C--N 1.348 0.528 0 O-C-N 120.028 -1.67 . . . . 0.0 112.03 177.694 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 59.3 t -52.76 -41.9 40.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 168.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.43 -47.75 84.27 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.364 -1.46 . . . . 0.0 114.848 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -82.27 -31.23 30.2 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.611 0.764 . . . . 0.0 112.031 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.98 -32.97 2.15 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 120.732 -1.23 . . . . 0.0 112.238 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.14 108.92 19.12 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.305 1.526 . . . . 0.0 113.858 -162.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 170.51 16.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 119.011 -2.305 . . . . 0.0 111.815 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -43.31 -29.16 0.39 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 128.066 2.546 . . . . 0.0 117.462 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -75.89 -52.04 11.18 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 124.373 2.035 . . . . 0.0 111.041 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.08 -47.75 84.1 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 129.654 3.181 . . . . 0.0 112.123 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.98 78.5 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 125.049 1.34 . . . . 0.0 113.562 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -66.49 -49.15 67.56 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.643 0.777 . . . . 0.0 110.136 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.48 -44.86 85.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 122.347 1.07 . . . . 0.0 112.131 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.14 -66.17 0.45 Allowed 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.553 2.341 . . . . 0.0 112.221 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -81.75 -2.1 49.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.569 -1.957 . . . . 0.0 114.524 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 87.9 mmm -86.26 -56.41 3.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.752 1.16 . . . . 0.0 112.395 163.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -94.08 -50.3 5.37 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.209 1.004 . . . . 0.0 112.56 -167.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.49 -38.59 74.37 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.913 0.885 . . . . 0.0 110.129 -175.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 92.48 15.18 54.08 Favored Glycine 0 C--N 1.348 1.2 0 N-CA-C 118.392 2.117 . . . . 0.0 118.392 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 32.8 mt -92.97 126.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 119.382 1.591 . . . . 0.0 107.438 162.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -89.88 111.89 23.07 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.299 1.04 . . . . 0.0 110.912 -170.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -133.55 65.33 1.59 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.543 1.137 . . . . 0.0 112.844 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -23.91 9.84 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.325 1.45 . . . . 0.0 108.863 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.1 t -87.63 -174.37 4.75 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 120.436 -1.415 . . . . 0.0 110.575 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.79 112.16 1.93 Allowed 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.644 1.578 . . . . 0.0 112.911 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.38 121.68 44.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 38.4 p -72.71 158.63 35.24 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 120.615 -1.303 . . . . 0.0 110.229 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.59 -19.6 65.81 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.178 -2.201 . . . . 0.0 112.98 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -55.2 -47.77 74.81 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.221 1.809 . . . . 0.0 114.988 157.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.3 -26.45 55.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.726 2.41 . . . . 0.0 113.703 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.03 -43.07 96.1 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-O 122.883 1.325 . . . . 0.0 110.774 164.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.04 -50.54 66.37 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 120.482 -1.386 . . . . 0.0 112.648 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -66.24 -24.79 66.65 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.547 -0.973 . . . . 0.0 112.471 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.99 -20.31 56.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.509 -1.995 . . . . 0.0 113.249 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -20.74 59.83 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.197 -2.19 . . . . 0.0 114.051 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -70.06 -67.54 0.48 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.564 2.745 . . . . 0.0 116.545 148.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.27 84.4 t -64.05 -53.3 45.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -163.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 24.9 m -42.26 -47.73 4.82 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -58.15 -45.32 87.59 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 118.799 -2.438 . . . . 0.0 113.845 173.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -50.67 -56.48 11.72 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.602 0.715 . . . . 0.0 111.881 168.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -54.18 -45.78 72.2 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.795 -1.191 . . . . 0.0 113.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.68 -38.69 73.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.721 1.608 . . . . 0.0 110.364 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.4 -12.72 60.91 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 119.378 -2.076 . . . . 0.0 112.237 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -89.64 -26.97 20.46 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.976 1.71 . . . . 0.0 112.915 169.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.56 -50.88 78.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 120.538 -1.351 . . . . 0.0 112.014 162.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.16 -52.99 56.98 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 129.273 3.029 . . . . 0.0 111.506 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -35.75 -50.75 0.65 Allowed 'General case' 0 C--N 1.349 0.578 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 166.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -74.44 -53.83 8.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.925 -1.109 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.44 73.35 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 126.801 2.041 . . . . 0.0 113.634 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 48.4 mt -61.12 -43.72 98.44 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -74.92 -26.11 59.4 Favored 'General case' 0 C--N 1.366 1.307 0 O-C-N 119.532 -1.98 . . . . 0.0 111.224 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -60.54 -23.52 64.67 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.516 1.526 . . . . 0.0 113.893 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.8 mt -81.9 91.11 6.5 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.607 -1.308 . . . . 0.0 111.285 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -83.1 -12.87 56.67 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.986 -1.696 . . . . 0.0 114.002 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.09 110.93 12.48 Favored Pre-proline 0 C--N 1.352 0.699 0 O-C-N 120.017 -1.677 . . . . 0.0 107.664 160.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo . . . . . 0 N--CA 1.458 -0.587 0 C-N-CA 122.606 2.204 . . . . 0.0 112.856 -156.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.9 tptm . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.294 0.568 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -49.29 -25.64 2.51 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.34 -24.07 34.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.858 1.263 . . . . 0.0 111.88 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.28 -51.74 68.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.408 -1.433 . . . . 0.0 112.325 168.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -55.79 -47.17 77.56 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.441 -1.412 . . . . 0.0 111.728 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -54.04 -52.53 35.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 125.342 1.457 . . . . 0.0 111.848 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HG3' HD11 ' A' ' 69' ' ' LEU . 12.8 mtp180 -53.62 -47.51 70.2 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.41 1.884 . . . . 0.0 114.371 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.26 -57.42 12.3 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.103 1.361 . . . . 0.0 113.695 170.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -49.91 -49.34 21.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 126.467 1.907 . . . . 0.0 114.405 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.266 10.8 pt -64.0 -38.53 82.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -67.04 -54.66 19.46 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.083 0.953 . . . . 0.0 112.309 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.1 -27.43 29.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 O-C-N 120.208 -1.557 . . . . 0.0 112.501 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.7 -19.8 60.11 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.792 -1.192 . . . . 0.0 113.525 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -72.9 -47.39 46.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 124.276 1.989 . . . . 0.0 106.965 -168.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.9 mt -31.62 -59.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 130.934 3.694 . . . . 0.0 114.952 158.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.4 mt -50.34 -50.01 52.3 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.245 1.022 . . . . 0.0 112.623 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.1 -56.24 18.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 111.972 -2.376 . . . . 0.0 111.15 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.83 -34.67 71.92 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 118.283 -2.761 . . . . 0.0 112.1 -167.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.12 -59.97 2.24 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 125.458 1.503 . . . . 0.0 112.994 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.8 p -105.3 -8.1 18.48 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.524 -1.36 . . . . 0.0 114.104 -172.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.449 15.4 mtp85 71.55 -124.91 0.07 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.032 1.333 . . . . 0.0 113.3 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -109.5 1.18 19.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 119.779 -1.826 . . . . 0.0 114.148 -163.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.12 -44.86 52.26 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.3 mt -77.66 -48.53 23.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 O-C-N 120.505 -1.372 . . . . 0.0 109.836 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -39.91 -46.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.568 0 C-N-CA 129.42 3.088 . . . . 0.0 115.513 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -47.3 -34.77 7.1 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 175.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -93.57 115.07 27.55 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -167.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.06 68.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 O-C-N 121.054 -1.028 . . . . 0.0 113.749 -167.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -50.68 11.01 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 120.451 -1.406 . . . . 0.0 112.315 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -35.01 78.49 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.475 1.51 . . . . 0.0 112.31 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.11 -58.0 10.41 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 mt -70.06 -37.68 72.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 119.986 -1.696 . . . . 0.0 110.295 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.97 -21.54 12.16 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 127.189 2.196 . . . . 0.0 116.637 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -26.16 56.92 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.512 -0.742 . . . . 0.0 110.676 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.26 -44.49 25.38 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.525 -1.36 . . . . 0.0 109.871 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -72.2 7.23 1.79 Allowed 'General case' 0 C--N 1.347 0.496 0 O-C-N 119.516 -1.99 . . . . 0.0 113.984 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.0 -50.9 6.34 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 123.023 1.392 . . . . 0.0 110.01 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -96.52 -4.58 10.04 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.352 1.061 . . . . 0.0 110.731 -175.626 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.68 53.11 1.86 Allowed Glycine 0 C--N 1.35 1.351 0 N-CA-C 117.427 1.731 . . . . 0.0 117.427 169.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.86 110.71 22.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 CA-C-N 119.67 1.735 . . . . 0.0 108.559 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -124.26 -179.81 4.6 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.321 -1.487 . . . . 0.0 108.693 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -163.48 130.99 3.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.925 -1.11 . . . . 0.0 108.74 164.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.453 44.2 mt-10 74.94 7.85 4.21 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 122.065 2.211 . . . . 0.0 113.595 175.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.19 -11.62 37.04 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 126.185 1.85 . . . . 0.0 114.121 170.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -96.0 142.89 27.67 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.913 -1.345 . . . . 0.0 111.558 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -72.0 125.5 27.39 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 161.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.52 82.58 0.1 Allowed 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -86.71 -163.86 0.97 Allowed 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.387 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.44 -30.3 67.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.226 -1.546 . . . . 0.0 113.129 -167.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -51.99 -61.45 2.25 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.237 1.415 . . . . 0.0 113.403 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -45.64 89.86 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -56.91 11.54 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -77.76 -33.71 52.67 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.983 -1.073 . . . . 0.0 111.113 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -51.87 -52.58 48.6 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.9 pt -67.12 -37.36 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.649 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -172.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.28 -34.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 C-N-CA 128.885 2.874 . . . . 0.0 112.942 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -76.84 -43.03 37.85 Favored 'General case' 0 C--N 1.344 0.332 0 O-C-N 119.171 -2.206 . . . . 0.0 113.919 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -90.14 15.9 9.43 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 123.989 3.086 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -69.31 144.52 53.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.111 1.365 . . . . 0.0 111.469 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.43 167.93 18.87 Favored 'General case' 0 C--O 1.222 -0.369 0 O-C-N 120.582 -1.324 . . . . 0.0 109.569 -173.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -50.25 72.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 119.75 -1.844 . . . . 0.0 114.202 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.14 -45.59 73.19 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.573 -1.329 . . . . 0.0 114.332 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -33.23 -64.69 0.19 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 128.757 2.823 . . . . 0.0 116.011 166.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.265 4.9 ptmm? -67.53 -44.56 78.03 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.018 -1.051 . . . . 0.0 113.589 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -63.63 -39.2 93.75 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 122.786 0.435 . . . . 0.0 110.668 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -49.92 -49.16 50.89 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.811 1.245 . . . . 0.0 114.235 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD11 ' HG3' ' A' ' 9' ' ' ARG . 26.3 mt -74.22 -39.72 62.91 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.73 -1.856 . . . . 0.0 112.467 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -48.66 -46.85 15.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 126.134 1.774 . . . . 0.0 112.225 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.21 -50.99 42.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.978 1.311 . . . . 0.0 114.306 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -74.65 -49.93 19.57 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -129.26 78.89 1.88 Allowed 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.67 1.188 . . . . 0.0 109.3 -170.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -33.78 71.25 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.368 -1.458 . . . . 0.0 112.312 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.35 -30.48 62.03 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.367 -1.458 . . . . 0.0 110.827 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -62.0 3.65 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.791 0.71 . . . . 0.0 112.404 173.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -74.82 -62.72 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 120.76 -1.435 . . . . 0.0 113.36 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.02 -39.79 83.05 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.571 -1.331 . . . . 0.0 111.149 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.27 -48.06 54.52 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.102 1.334 . . . . 0.0 114.305 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.2 t -81.44 -53.52 12.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.248 -1.736 . . . . 0.0 114.371 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.283 0.1 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.367 1.33 0 O-C-N 118.597 -2.565 . . . . 0.0 115.765 -161.175 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -77.92 -31.4 51.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 119.998 -1.689 . . . . 0.0 111.03 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -68.53 -35.95 78.16 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 111.979 167.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.0 -53.82 47.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.057 1.743 . . . . 0.0 113.27 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.85 -26.47 59.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.89 -1.131 . . . . 0.0 113.412 176.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 66.1 ttp -67.2 -53.32 31.37 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.15 -1.594 . . . . 0.0 112.494 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -75.24 -54.95 6.23 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.139 -0.976 . . . . 0.0 111.286 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -80.11 91.42 5.52 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 124.0 1.857 . . . . 0.0 108.72 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -106.84 154.02 21.63 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 119.883 -1.761 . . . . 0.0 106.802 -168.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-N 121.917 2.144 . . . . 0.0 111.695 172.084 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.01 -43.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 127.881 2.473 . . . . 0.0 112.281 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.89 -51.56 68.6 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.0 -36.5 48.77 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.537 -1.352 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 133.44 -25.35 3.63 Favored Glycine 0 CA--C 1.492 -1.38 0 O-C-N 121.656 -0.653 . . . . 0.0 112.782 164.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.49 128.35 35.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 123.377 1.56 . . . . 0.0 113.722 -173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.6 t -77.26 166.76 22.77 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-O 122.525 1.155 . . . . 0.0 111.469 -175.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.71 -33.54 66.57 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.318 -1.489 . . . . 0.0 113.387 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -66.67 -35.62 80.59 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.833 2.053 . . . . 0.0 112.01 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.1 -42.52 66.01 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.52 1.528 . . . . 0.0 109.809 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.29 73.96 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.982 -1.074 . . . . 0.0 112.895 173.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -52.68 -60.67 2.96 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.389 1.476 . . . . 0.0 113.9 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.26 -25.26 36.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 120.112 -1.617 . . . . 0.0 114.474 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.2 -45.12 81.86 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 124.168 0.987 . . . . 0.0 110.564 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.5 -31.56 68.7 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 167.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 98.2 mmm -68.88 -64.47 0.86 Allowed 'General case' 0 C--N 1.353 0.725 0 O-C-N 117.686 -3.134 . . . . 0.0 114.03 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -95.58 -33.51 12.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -165.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -90.62 -24.14 20.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.894 -1.129 . . . . 0.0 112.727 -167.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 96.06 12.22 52.82 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 121.438 -0.789 . . . . 0.0 114.836 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.4 114.57 47.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 118.822 1.311 . . . . 0.0 108.27 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -84.6 102.5 12.96 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.812 -1.18 . . . . 0.0 110.488 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 40.5 mtt -97.92 61.51 1.54 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 119.232 -2.168 . . . . 0.0 109.406 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -122.49 -45.48 2.19 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 121.122 -0.987 . . . . 0.0 110.735 -173.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 18.5 p -77.25 165.97 23.8 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.986 1.314 . . . . 0.0 110.169 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -45.96 135.59 7.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 129.089 2.956 . . . . 0.0 116.868 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -133.45 160.04 38.57 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 122.521 1.153 . . . . 0.0 110.561 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -134.65 153.51 51.95 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 107.685 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.58 -38.12 52.95 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -170.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -73.18 -37.58 66.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.343 -1.473 . . . . 0.0 111.502 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -68.41 -41.79 79.93 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 127.464 2.305 . . . . 0.0 113.392 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.79 -50.18 24.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 C-N-CA 125.339 1.456 . . . . 0.0 112.264 164.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.92 -41.01 97.62 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 123.921 0.772 . . . . 0.0 113.414 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -73.3 -33.23 65.07 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 122.73 1.252 . . . . 0.0 109.524 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -76.89 -12.0 59.9 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.592 -1.317 . . . . 0.0 113.139 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -74.98 -60.08 2.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.954 1.702 . . . . 0.0 109.519 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -31.37 -68.91 0.08 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 128.172 2.589 . . . . 0.0 115.86 153.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 71.8 t -48.99 -60.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 125.418 1.487 . . . . 0.0 113.706 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -17.61 64.97 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -66.66 -39.07 88.03 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 119.927 -1.733 . . . . 0.0 109.161 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -61.09 -48.23 82.67 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.942 167.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.87 -38.97 73.49 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 120.899 1.681 . . . . 0.0 111.979 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.49 -43.07 86.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.31 -1.494 . . . . 0.0 112.438 171.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -71.94 -17.56 62.07 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 123.636 2.925 . . . . 0.0 110.676 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -76.53 -32.01 57.99 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.707 -1.246 . . . . 0.0 112.584 169.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.04 -49.92 81.56 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.882 1.673 . . . . 0.0 111.948 162.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -51.93 -55.45 20.18 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.43 -51.12 15.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.588 1.955 . . . . 0.0 114.838 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.73 -24.09 56.13 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.011 -1.68 . . . . 0.0 112.168 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -80.32 -36.09 34.74 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.11 0.964 . . . . 0.0 110.802 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.11 -1.05 18.52 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 170.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.13 -43.13 6.43 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.567 . . . . 0.0 109.679 171.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -66.03 -35.98 82.02 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.62 -1.3 . . . . 0.0 112.776 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.59 150.31 41.51 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.038 1.399 . . . . 0.0 108.135 165.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.35 -26.09 0.1 Allowed 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 121.103 -0.998 . . . . 0.0 111.598 -148.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -88.0 119.63 70.49 Favored Pre-proline 0 C--N 1.352 0.69 0 O-C-N 120.215 -1.553 . . . . 0.0 107.979 156.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 N--CA 1.461 -0.383 0 CA-C-N 122.786 2.031 . . . . 0.0 116.022 -171.288 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 mttp . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 122.066 0.936 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -93.22 -21.78 19.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.871 -1.143 . . . . 0.0 110.137 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 tp -65.18 -21.57 29.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.85 -48.41 76.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 120.067 -1.646 . . . . 0.0 113.421 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 m -68.91 -41.81 77.68 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.838 -1.163 . . . . 0.0 110.74 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.265 10.7 t -57.11 -43.88 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 120.67 -1.268 . . . . 0.0 113.254 173.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -51.79 -46.7 64.29 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 118.963 -2.335 . . . . 0.0 115.11 166.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.67 -56.16 23.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.722 1.609 . . . . 0.0 112.487 170.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.57 -51.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 127.926 2.49 . . . . 0.0 114.269 168.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.22 -46.41 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 C-N-CA 124.252 1.021 . . . . 0.0 110.775 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 m -59.16 -46.7 87.69 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.355 -0.84 . . . . 0.0 113.068 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -78.51 -27.66 14.26 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 O-C-N 120.252 -1.53 . . . . 0.0 114.041 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -20.68 60.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.0 -2.313 . . . . 0.0 111.743 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -72.26 -52.74 14.96 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 123.785 1.755 . . . . 0.0 108.22 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -26.74 -60.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 130.947 3.699 . . . . 0.0 115.371 159.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.42 -36.54 69.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.54 1.136 . . . . 0.0 113.442 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -74.81 -55.63 11.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 125.504 1.522 . . . . 0.0 110.136 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -63.58 -34.62 78.21 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.397 -2.065 . . . . 0.0 112.075 -166.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -79.74 -58.32 3.24 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 126.258 1.823 . . . . 0.0 112.08 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -116.32 -1.54 12.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 120.426 -1.421 . . . . 0.0 113.318 -164.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 52.85 -106.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.157 1.783 . . . . 0.0 113.317 -171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.69 4.99 38.74 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.393 -1.442 . . . . 0.0 112.909 -171.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.99 -44.59 72.55 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 118.375 -2.703 . . . . 0.0 115.998 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -30.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 120.103 -1.623 . . . . 0.0 110.799 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -43.89 -53.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 164.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.71 -27.38 58.96 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -162.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -101.26 123.37 45.27 Favored 'General case' 0 N--CA 1.439 -0.986 0 O-C-N 119.195 -2.191 . . . . 0.0 105.364 -171.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -60.12 -23.94 64.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.8 -53.59 12.85 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.707 -1.246 . . . . 0.0 110.429 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.91 -38.62 73.08 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.958 1.703 . . . . 0.0 115.088 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.5 -70.28 0.21 Allowed 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.213 -1.554 . . . . 0.0 113.415 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 34' ' ' ILE . 34.3 mt -26.36 -54.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.191 2.596 . . . . 0.0 114.445 148.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -58.67 -30.94 67.74 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 117.167 -3.458 . . . . 0.0 117.145 173.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.31 -35.96 68.76 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.889 1.276 . . . . 0.0 111.368 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.9 -37.19 75.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.917 -1.114 . . . . 0.0 111.39 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -77.14 -29.74 54.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 119.662 -1.899 . . . . 0.0 112.523 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.46 -58.73 1.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.194 2.197 . . . . 0.0 114.978 165.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.97 -7.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 120.445 -1.409 . . . . 0.0 112.487 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.2 62.47 2.19 Favored Glycine 0 CA--C 1.49 -1.474 0 O-C-N 120.768 -1.208 . . . . 0.0 114.989 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -100.66 127.64 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 166.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.0 p -124.6 172.31 9.34 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.722 -1.236 . . . . 0.0 111.078 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -142.47 146.49 34.83 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 45.89 32.95 1.43 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 123.588 1.661 . . . . 0.0 114.565 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.56 -1.47 85.69 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 126.276 1.893 . . . . 0.0 115.706 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.1 151.41 34.36 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 120.95 -1.324 . . . . 0.0 110.627 -166.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -78.36 135.08 37.39 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.887 -1.133 . . . . 0.0 108.653 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.82 82.54 8.08 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.146 -1.596 . . . . 0.0 114.665 -167.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.58 179.98 1.22 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.294 159.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -51.31 -42.79 61.43 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 125.295 1.438 . . . . 0.0 113.985 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.527 2.731 . . . . 0.0 112.657 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -66.84 -36.97 83.56 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.496 1.118 . . . . 0.0 112.247 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.74 -54.12 50.63 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.116 1.366 . . . . 0.0 113.195 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -70.09 -32.01 69.87 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.126 -1.609 . . . . 0.0 111.591 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -78.19 -38.99 42.09 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tt -63.79 -42.57 96.35 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 120.616 -1.303 . . . . 0.0 112.097 175.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.55 -56.09 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 125.672 1.589 . . . . 0.0 113.857 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -76.49 -25.36 54.19 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 118.48 -2.638 . . . . 0.0 110.609 -164.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -94.88 20.66 8.51 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.657 1.183 . . . . 0.0 113.544 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.87 160.82 25.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.059 -1.651 . . . . 0.0 114.121 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -77.8 129.22 35.18 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.705 -1.247 . . . . 0.0 109.256 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -34.82 -48.07 0.37 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.88 -31.9 71.17 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -94.78 -20.19 19.7 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 120.064 1.302 . . . . 0.0 113.546 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -48.8 -42.95 37.64 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.881 -1.762 . . . . 0.0 113.604 150.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -78.35 -28.13 47.14 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.695 -0.628 . . . . 0.0 111.939 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.8 m -54.19 -42.21 69.44 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.806 -1.809 . . . . 0.0 113.357 167.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.05 -55.63 13.54 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 119.866 -1.771 . . . . 0.0 113.298 169.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.8 mt -42.53 -56.87 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 125.359 1.464 . . . . 0.0 113.569 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.55 -37.28 83.2 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.362 1.465 . . . . 0.0 113.891 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -83.32 -67.33 0.8 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.33 0.652 . . . . 0.0 110.414 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -87.62 77.94 8.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.2 1.4 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -61.25 -44.2 97.63 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.427 -1.421 . . . . 0.0 113.71 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -78.74 -41.94 29.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.192 0.996 . . . . 0.0 109.969 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.79 -45.78 95.01 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 125.7 1.619 . . . . 0.0 114.131 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -75.45 -51.94 11.86 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.253 -1.733 . . . . 0.0 111.791 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -54.1 -40.3 67.16 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.496 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.2 -64.91 3.02 Favored Glycine 0 C--N 1.35 1.313 0 C-N-CA 124.927 1.251 . . . . 0.0 114.564 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.404 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 73.9 t -70.13 -47.62 66.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 120.42 2.11 . . . . 0.0 114.585 -174.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -36.87 -57.97 0.78 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 126.818 2.047 . . . . 0.0 115.234 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -57.46 -41.63 80.97 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 80' ' ' VAL 0.295 34.6 p90 -85.28 -32.89 22.3 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.35 -1.469 . . . . 0.0 113.453 -175.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 mt -72.34 -30.11 64.44 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.085 -1.634 . . . . 0.0 112.759 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.61 -32.5 60.31 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.188 -1.57 . . . . 0.0 111.168 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.0 ttp -66.13 -65.33 0.69 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.152 1.381 . . . . 0.0 114.057 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.74 -4.32 50.62 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -168.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.3 m -84.1 120.83 26.63 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 119.08 -2.262 . . . . 0.0 111.35 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.55 136.81 54.3 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 126.611 1.964 . . . . 0.0 112.884 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt . . . . . 0 N--CA 1.447 -0.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.046 -172.08 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.532 0.682 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 67.5 t -51.3 -50.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.411 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.69 -49.31 68.31 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.81 50.56 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.663 -1.273 . . . . 0.0 111.835 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.68 -19.68 2.95 Favored Glycine 0 C--N 1.348 1.245 0 O-C-N 121.252 -0.905 . . . . 0.0 114.261 162.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.31 115.67 23.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 124.544 2.116 . . . . 0.0 115.063 -170.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -64.13 146.92 53.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.469 171.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.48 -34.48 0.35 Allowed 'General case' 0 C--N 1.349 0.586 0 N-CA-C 116.458 2.022 . . . . 0.0 116.458 171.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -76.44 -23.83 53.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.901 1.334 . . . . 0.0 112.672 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.62 -38.27 26.28 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.168 2.187 . . . . 0.0 109.531 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.37 71.89 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.828 -1.17 . . . . 0.0 112.146 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -48.58 -60.74 2.46 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.63 -38.38 42.48 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 C-N-CA 127.816 2.446 . . . . 0.0 114.62 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.26 -45.04 96.16 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.605 1.162 . . . . 0.0 110.948 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -52.37 64.6 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 161.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.46 -63.35 1.33 Allowed 'General case' 0 C--N 1.347 0.482 0 CA-C-N 122.305 2.32 . . . . 0.0 116.264 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -98.47 -38.11 9.32 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.275 1.43 . . . . 0.0 113.555 -167.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -82.89 -23.03 33.77 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.785 -1.197 . . . . 0.0 110.528 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 71.67 34.54 62.84 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 125.053 1.311 . . . . 0.0 115.56 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 35.8 mt -99.24 129.17 50.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 120.624 -1.515 . . . . 0.0 109.947 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.17 108.72 14.0 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.812 -1.18 . . . . 0.0 112.415 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 12.9 ptp -132.3 41.1 3.25 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.669 1.223 . . . . 0.0 108.615 165.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.39 37.6 3.5 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.142 1.377 . . . . 0.0 110.791 -168.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 t -137.78 -164.8 1.67 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.818 2.047 . . . . 0.0 107.893 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -64.74 111.05 2.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.007 1.723 . . . . 0.0 113.581 155.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.62 116.81 31.98 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 76.6 m -81.8 148.83 28.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.066 -1.646 . . . . 0.0 107.964 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 573' ' ' LEU . . . . . 0.532 HD23 ' H ' ' B' ' 573' ' ' LEU . 1.0 OUTLIER -55.68 -20.82 15.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.122 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -66.38 -36.08 81.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.651 1.18 . . . . 0.0 113.41 168.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.1 -41.09 74.49 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.624 1.57 . . . . 0.0 112.609 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.02 -42.74 83.51 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.602 1.191 . . . . 0.0 111.35 170.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.49 -54.12 38.48 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 124.504 1.049 . . . . 0.0 113.586 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 578' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' B' ' 578' ' ' LYS . 0.7 OUTLIER -66.09 -30.26 70.73 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 122.868 1.318 . . . . 0.0 111.003 -172.034 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.32 0.81 47.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.526 1.13 . . . . 0.0 113.041 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -59.08 2.91 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 119.168 -2.207 . . . . 0.0 109.969 160.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -40.91 -59.7 1.37 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 158.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.256 91.7 t -65.18 -57.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 O-C-N 120.025 -1.672 . . . . 0.0 113.171 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 17.9 m -54.63 -35.98 64.03 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -66.46 -39.36 88.79 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 119.047 -2.283 . . . . 0.0 111.697 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.73 -51.03 71.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 120.679 -1.263 . . . . 0.0 113.076 167.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -53.64 -40.09 65.53 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.44 -1.412 . . . . 0.0 112.807 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 O-C-N 120.3 -1.5 . . . . 0.0 112.439 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -74.8 -13.77 60.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 124.638 3.381 . . . . 0.0 111.356 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -70.1 -48.88 55.82 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.731 -1.856 . . . . 0.0 112.145 165.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 54.1 mt -47.97 -50.75 9.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.786 1.634 . . . . 0.0 113.89 163.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -53.4 -60.71 2.95 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.513 1.925 . . . . 0.0 113.488 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.07 -47.87 3.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.825 2.05 . . . . 0.0 115.828 167.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -67.66 -46.7 71.63 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 112.081 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 594' ' ' ALA . . . . . 0.445 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -58.63 -35.97 73.33 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.13 1.372 . . . . 0.0 114.121 175.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.33 -19.88 65.52 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.566 -1.334 . . . . 0.0 113.553 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.0 -29.78 19.24 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 120.171 -1.58 . . . . 0.0 108.176 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.71 -21.0 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 165.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.04 101.66 13.13 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 119.654 -1.904 . . . . 0.0 112.813 168.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -50.27 13.13 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 120.284 3.438 . . . . 0.0 120.284 156.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -81.83 145.76 54.58 Favored Pre-proline 0 C--N 1.344 0.346 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.725 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 N--CA 1.459 -0.532 0 C-N-CA 122.459 2.106 . . . . 0.0 112.947 -170.916 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.43 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.472 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 21.4 m120 -97.88 -34.01 11.01 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.903 0.881 . . . . 0.0 110.592 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.83 -33.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 -168.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.14 -42.99 91.99 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.382 -1.449 . . . . 0.0 112.839 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -77.78 -39.29 44.54 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.053 -1.029 . . . . 0.0 111.175 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.6 -57.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 O-C-N 121.175 -0.953 . . . . 0.0 112.763 166.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -50.23 -46.71 54.92 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.504 -1.372 . . . . 0.0 114.02 171.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -49.43 -62.22 1.66 Allowed 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.654 1.581 . . . . 0.0 113.501 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -43.1 -53.7 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.153 2.581 . . . . 0.0 115.655 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -55.04 -53.02 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.768 1.227 . . . . 0.0 111.631 172.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -65.67 -42.98 90.69 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.411 -1.43 . . . . 0.0 113.207 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.54 -28.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 O-C-N 119.586 -1.946 . . . . 0.0 113.985 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -16.72 62.98 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 119.039 -2.288 . . . . 0.0 112.825 165.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -71.7 -41.95 67.97 Favored 'General case' 0 C--N 1.366 1.29 0 O-C-N 120.662 -1.274 . . . . 0.0 108.764 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -37.11 -61.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.431 0 C-N-CA 129.323 3.049 . . . . 0.0 113.912 163.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -51.21 -49.6 60.72 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 126.723 2.009 . . . . 0.0 112.111 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -59.42 -48.89 85.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 128.649 2.78 . . . . 0.0 113.491 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -78.59 -45.57 21.38 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 118.674 -2.516 . . . . 0.0 111.096 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -73.54 -54.56 7.93 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.368 1.467 . . . . 0.0 113.795 -173.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -105.85 -9.85 16.97 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.357 -0.839 . . . . 0.0 112.763 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.406 42.2 mtt180 62.46 -130.71 0.57 Allowed 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.967 0.907 . . . . 0.0 113.241 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -97.53 5.57 49.39 Favored 'General case' 0 CA--C 1.515 -0.387 0 O-C-N 119.787 -1.821 . . . . 0.0 111.601 -163.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.13 -68.39 0.3 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 129.696 3.199 . . . . 0.0 113.007 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.2 pt -84.62 -28.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 119.681 -1.887 . . . . 0.0 110.728 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.5 t -46.77 -38.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 127.651 2.38 . . . . 0.0 115.442 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -51.68 -48.78 63.33 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.142 1.448 . . . . 0.0 112.2 172.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -79.96 100.3 8.03 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.24 -145.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -59.68 -25.49 64.8 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -167.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.01 -55.51 4.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.981 -1.075 . . . . 0.0 110.989 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 -44.46 97.03 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.732 2.013 . . . . 0.0 111.93 -173.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.83 -44.17 81.78 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.404 -1.435 . . . . 0.0 114.665 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -83.58 -27.16 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 119.141 -2.224 . . . . 0.0 110.007 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.99 -29.82 70.95 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.106 -2.246 . . . . 0.0 112.941 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -42.31 99.67 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 125.638 1.575 . . . . 0.0 112.094 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.61 -38.9 89.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.019 1.728 . . . . 0.0 112.531 173.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -79.31 -33.33 43.34 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.432 -1.417 . . . . 0.0 113.6 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -57.4 2.02 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.549 2.339 . . . . 0.0 116.07 164.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.7 pt -84.2 -15.74 11.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 O-C-N 121.382 -0.824 . . . . 0.0 110.731 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.92 56.1 1.78 Allowed Glycine 0 CA--C 1.494 -1.226 0 O-C-N 121.191 -0.943 . . . . 0.0 112.61 165.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -84.9 130.25 36.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 CA-C-O 123.461 1.601 . . . . 0.0 108.509 170.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -127.72 150.86 49.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 129.748 3.219 . . . . 0.0 109.73 -163.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.472 ' CE1' ' HA ' ' A' ' 4' ' ' ASN . 55.8 t60 -147.4 137.77 23.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 119.78 -1.825 . . . . 0.0 108.769 163.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 54.84 35.03 23.32 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 120.298 -1.501 . . . . 0.0 113.529 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.61 -7.45 54.01 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.595 1.569 . . . . 0.0 113.614 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -96.83 157.38 15.93 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.892 1.277 . . . . 0.0 110.837 -174.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -94.66 129.47 41.53 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.262 0.5 OUTLIER -94.6 99.54 11.66 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 123.31 1.529 . . . . 0.0 114.258 -170.555 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.03 -173.22 3.46 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.245 -1.534 . . . . 0.0 111.193 166.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -45.18 -52.64 9.12 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 118.284 2.698 . . . . 0.0 118.284 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.23 -55.04 39.9 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.207 1.803 . . . . 0.0 113.719 174.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.585 -1.322 . . . . 0.0 113.136 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.582 1.553 . . . . 0.0 111.42 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.49 -37.71 68.36 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.76 -1.212 . . . . 0.0 111.007 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.86 -40.98 88.06 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 126.134 1.773 . . . . 0.0 114.222 -174.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 tt -70.69 -24.75 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 119.419 -2.051 . . . . 0.0 113.193 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.42 -40.55 13.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 127.311 2.244 . . . . 0.0 112.248 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.0 p -58.14 -45.51 87.26 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 165.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -90.53 77.12 6.51 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 121.113 1.778 . . . . 0.0 110.504 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mt -113.54 131.17 56.18 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.892 1.277 . . . . 0.0 112.621 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.2 m -64.9 127.93 33.65 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.34 1.456 . . . . 0.0 111.239 174.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.25 -54.48 13.46 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -174.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.73 -34.06 75.14 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -89.38 -30.68 18.2 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.55 -1.344 . . . . 0.0 111.351 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -40.63 82.4 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 118.883 -2.386 . . . . 0.0 113.257 165.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -68.84 -42.95 76.44 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.102 0.961 . . . . 0.0 111.677 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.8 m -43.71 -49.58 7.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.813 2.045 . . . . 0.0 114.632 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.13 -45.62 84.31 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 120.731 -1.231 . . . . 0.0 112.495 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.04 -59.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 169.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.17 -23.41 66.58 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -68.1 -80.37 0.04 OUTLIER 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.028 1.74 . . . . 0.0 111.803 170.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -124.83 104.81 8.82 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.018 -1.051 . . . . 0.0 108.512 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.99 -47.43 85.21 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -168.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.2 -44.96 33.31 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.48 -65.1 3.79 Favored Glycine 0 C--N 1.358 1.753 0 C-N-CA 125.642 1.591 . . . . 0.0 113.145 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.64 99.87 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.991 -1.299 . . . . 0.0 112.794 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.1 -40.47 64.16 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.43 30.71 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 120.976 -1.078 . . . . 0.0 113.548 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.08 -49.77 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 121.668 -0.901 . . . . 0.0 112.52 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -37.09 -61.02 0.59 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.314 1.846 . . . . 0.0 115.181 163.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -65.14 -50.62 65.31 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -70.7 -24.35 62.64 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.116 -1.615 . . . . 0.0 112.873 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.41 -48.77 76.45 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.495 1.518 . . . . 0.0 111.911 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.1 -46.02 65.71 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.352 -0.843 . . . . 0.0 113.058 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.9 ttp -70.19 -50.05 44.11 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -172.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -93.24 -58.78 2.2 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.755 -1.216 . . . . 0.0 112.805 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 2.4 t -88.75 91.31 8.77 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 124.438 2.066 . . . . 0.0 113.269 -169.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -77.32 151.62 34.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 119.832 -1.792 . . . . 0.0 111.506 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--N 1.362 1.136 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 172.011 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 56.8 t -66.1 -34.96 73.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.205 -1.559 . . . . 0.0 111.876 167.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.1 -72.95 0.16 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.505 -1.997 . . . . 0.0 111.015 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -14.76 -73.32 0.01 OUTLIER 'General case' 0 C--N 1.355 0.82 1 N-CA-C 122.019 4.081 . . . . 0.0 122.019 151.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 120.49 -38.64 2.66 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 124.025 0.822 . . . . 0.0 111.819 -169.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -82.35 128.61 34.39 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 124.037 1.875 . . . . 0.0 115.933 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.7 m -55.18 146.27 19.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 126.724 2.009 . . . . 0.0 113.196 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.59 58.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 118.102 -2.874 . . . . 0.0 114.035 169.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -56.96 -34.56 68.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 113.348 171.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -76.8 -34.51 57.93 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.121 1.768 . . . . 0.0 111.531 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.69 78.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.37 -1.456 . . . . 0.0 112.47 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -44.46 -60.51 1.92 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 165.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.75 -30.1 47.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 125.788 1.635 . . . . 0.0 114.671 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.2 -42.57 93.43 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.136 0.974 . . . . 0.0 110.84 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -62.0 -57.8 10.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 159.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 71.1 mtm -58.24 -61.97 2.18 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 123.519 2.872 . . . . 0.0 117.838 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -111.42 -10.14 14.21 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.87 -13.85 19.87 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.947 -1.096 . . . . 0.0 110.735 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.53 79.13 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 120.537 -1.352 . . . . 0.0 116.077 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 10.7 mt -97.66 123.54 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 118.815 1.308 . . . . 0.0 109.007 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.48 79.96 4.9 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 119.766 -1.834 . . . . 0.0 108.962 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 21.4 mtm -91.78 52.56 2.04 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 119.913 -1.742 . . . . 0.0 109.663 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -114.13 -34.25 5.42 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.473 -1.392 . . . . 0.0 112.674 -157.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 66.9 p -86.51 -161.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.193 0 O-C-N 120.913 -1.117 . . . . 0.0 109.597 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -59.17 120.06 8.5 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.892 1.677 . . . . 0.0 113.766 -174.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -122.41 95.51 4.67 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 171.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 162.14 27.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.979 1.312 . . . . 0.0 110.441 173.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 pp -58.98 -27.1 65.06 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.01 -2.307 . . . . 0.0 117.16 -171.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.59 -23.89 29.42 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 119.449 -2.032 . . . . 0.0 111.644 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -67.57 -31.82 72.16 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 119.831 -1.793 . . . . 0.0 111.201 168.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 23.3 t -57.96 -39.76 73.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 O-C-N 120.369 -1.457 . . . . 0.0 114.271 164.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.14 79.7 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 119.035 -2.291 . . . . 0.0 113.472 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.27 -39.92 92.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.119 2.168 . . . . 0.0 111.741 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.67 -35.11 73.79 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 119.715 -1.866 . . . . 0.0 112.788 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.32 -68.14 0.49 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.16 -0.963 . . . . 0.0 113.103 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -32.31 -59.84 0.29 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 160.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.63 -60.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.921 1.288 . . . . 0.0 113.048 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.6 m -45.33 -46.84 13.15 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 165.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -62.03 -47.38 85.02 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.233 -1.542 . . . . 0.0 110.345 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -55.68 -46.68 77.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 111.159 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -35.59 71.55 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.531 -1.355 . . . . 0.0 113.213 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.18 -39.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 119.791 -1.818 . . . . 0.0 113.028 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -75.04 -17.09 60.56 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 122.665 2.484 . . . . 0.0 108.766 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -72.83 -39.66 66.4 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.0 -2.313 . . . . 0.0 111.908 168.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 87.1 mt -54.2 -43.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 125.679 1.592 . . . . 0.0 113.124 170.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.31 -43.7 97.1 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.563 1.545 . . . . 0.0 112.565 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.34 62.68 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.461 1.504 . . . . 0.0 114.447 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -80.34 -54.76 5.42 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.565 -1.335 . . . . 0.0 108.372 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.07 -37.33 61.55 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.53 -1.08 25.55 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -98.76 -45.11 6.14 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 168.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -57.56 -38.97 75.66 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.422 -1.423 . . . . 0.0 114.214 171.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 15.4 tp -94.05 100.61 12.7 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 125.376 1.47 . . . . 0.0 110.417 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.77 -27.35 67.52 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -61.36 129.59 91.07 Favored Pre-proline 0 C--N 1.354 0.803 0 CA-C-N 119.837 1.199 . . . . 0.0 111.616 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo . . . . . 0 CA--C 1.515 -0.429 0 C-N-CA 121.943 1.762 . . . . 0.0 115.175 -174.609 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 122.288 1.042 . . . . 0.0 113.084 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -82.06 -21.85 36.68 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.811 1.244 . . . . 0.0 109.948 171.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.48 -39.31 22.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 C-N-CA 126.66 1.984 . . . . 0.0 113.254 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.74 -55.86 1.42 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 127.777 2.431 . . . . 0.0 115.774 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 m -71.55 -45.12 63.2 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.427 -0.796 . . . . 0.0 111.294 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 t -54.22 -54.9 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.715 0.806 . . . . 0.0 112.128 175.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -50.47 -42.72 54.84 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 129.406 3.082 . . . . 0.0 114.927 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -55.15 -56.18 22.75 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.117 1.767 . . . . 0.0 111.745 169.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mm -52.51 -47.14 48.5 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 124.104 0.962 . . . . 0.0 113.375 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -58.49 -52.39 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.962 . . . . 0.0 111.07 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m -60.14 -45.34 93.38 Favored 'General case' 0 C--N 1.343 0.315 0 O-C-N 121.142 -0.974 . . . . 0.0 113.368 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.91 -22.17 11.02 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 O-C-N 120.594 -1.316 . . . . 0.0 112.701 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.94 58.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.463 -2.023 . . . . 0.0 112.488 168.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -73.39 -46.64 47.67 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.57 2.129 . . . . 0.0 107.745 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -32.89 -56.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 130.724 3.61 . . . . 0.0 115.159 156.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -48.95 -51.9 27.77 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 124.758 1.223 . . . . 0.0 113.22 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.07 -51.39 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 128.872 2.869 . . . . 0.0 109.763 -175.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -77.82 -40.93 38.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.291 -2.13 . . . . 0.0 110.107 -168.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.91 -62.91 1.43 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.036 0.935 . . . . 0.0 113.189 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 1.67 19.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 120.994 -1.066 . . . . 0.0 113.379 -172.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.332 64.5 mtt180 63.29 -119.69 0.54 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.665 1.186 . . . . 0.0 113.581 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -99.83 22.43 11.09 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 120.157 -1.589 . . . . 0.0 112.893 -172.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -59.65 -72.37 0.11 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.754 2.022 . . . . 0.0 113.263 173.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.47 -32.79 8.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.83 -1.168 . . . . 0.0 109.744 -172.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -44.02 -51.48 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 126.92 2.088 . . . . 0.0 113.695 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -47.0 -39.22 12.14 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -98.93 124.56 43.96 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.841 -1.162 . . . . 0.0 108.548 -157.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.42 -52.78 56.41 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -172.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.27 63.81 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.927 0.891 . . . . 0.0 113.205 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -56.1 -41.57 75.45 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.925 1.29 . . . . 0.0 112.133 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.56 -48.74 79.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.49 -1.381 . . . . 0.0 112.114 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -75.23 -36.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.363 1.165 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -169.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -48.72 -34.63 12.42 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 127.37 2.268 . . . . 0.0 115.631 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.23 -40.44 77.94 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.394 0.678 . . . . 0.0 111.359 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.87 -34.7 78.75 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.862 -1.149 . . . . 0.0 110.954 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.48 -59.47 3.96 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.555 -1.34 . . . . 0.0 111.792 171.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -35.63 -52.29 0.67 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 128.302 2.641 . . . . 0.0 118.077 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 0.2 OUTLIER -89.41 -15.62 8.79 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 119.562 -1.961 . . . . 0.0 113.875 177.398 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.03 55.39 2.52 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.254 -1.529 . . . . 0.0 113.955 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -92.92 144.12 10.03 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 167.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.9 p -145.44 169.91 17.4 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 120.047 -1.658 . . . . 0.0 110.487 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -138.12 136.52 36.8 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 168.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 57.42 23.01 8.52 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 124.014 1.864 . . . . 0.0 112.965 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.39 7.72 82.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 119.043 -2.286 . . . . 0.0 114.494 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -98.36 139.79 33.59 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.397 1.879 . . . . 0.0 109.771 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.97 148.34 36.36 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.927 -1.108 . . . . 0.0 108.813 173.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.88 87.26 5.34 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 119.721 -1.862 . . . . 0.0 115.875 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.81 170.89 12.67 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 147.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -59.02 -32.27 69.58 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -55.17 -53.89 50.29 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 125.755 1.622 . . . . 0.0 113.017 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -61.64 -51.13 69.75 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 121.584 -0.698 . . . . 0.0 111.738 171.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -55.4 -56.87 15.16 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.635 1.574 . . . . 0.0 114.192 -170.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -79.54 -26.49 41.44 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.804 -1.185 . . . . 0.0 111.432 -174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.0 -48.16 81.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.425 1.09 . . . . 0.0 112.461 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.8 pt -62.76 -33.44 60.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -72.43 -56.77 8.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 C-N-CA 127.535 2.334 . . . . 0.0 112.601 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.7 m -50.25 -63.73 1.03 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 127.088 2.155 . . . . 0.0 115.069 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -90.28 24.26 2.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 120.817 -1.177 . . . . 0.0 112.251 -163.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.3 151.41 47.12 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.868 -1.77 . . . . 0.0 111.009 158.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.78 171.07 15.0 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.797 1.639 . . . . 0.0 108.794 166.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -67.95 -47.91 67.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 119.96 -1.712 . . . . 0.0 115.145 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.1 -43.0 71.96 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.3 -1.5 . . . . 0.0 113.786 -173.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -35.05 -68.12 0.13 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.349 2.66 . . . . 0.0 116.912 156.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.31 75.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.219 -1.55 . . . . 0.0 114.149 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -74.01 -26.56 60.51 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 120.86 -1.15 . . . . 0.0 111.394 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -57.22 -41.21 79.07 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.023 -1.673 . . . . 0.0 112.624 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.98 -53.92 51.37 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.82 -1.175 . . . . 0.0 112.433 169.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -49.16 -54.87 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.596 1.558 . . . . 0.0 112.496 173.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.59 -36.43 66.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.252 -1.53 . . . . 0.0 114.51 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -79.8 -56.93 3.92 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 112.8 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -119.8 88.52 2.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -64.47 -64.18 0.94 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.017 -1.052 . . . . 0.0 110.055 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.65 -31.31 72.26 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.828 1.651 . . . . 0.0 111.857 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.13 -48.24 72.56 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 121.089 -1.007 . . . . 0.0 113.326 174.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.0 -47.95 55.89 Favored 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.699 -1.471 . . . . 0.0 111.354 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 125.103 1.361 . . . . 0.0 112.3 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.46 17.49 Favored Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.837 1.684 . . . . 0.0 115.279 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.84 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 120.08 1.94 . . . . 0.0 112.139 -168.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -15.73 -73.56 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 148.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -70.35 -44.65 67.72 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.084 -1.635 . . . . 0.0 113.501 -172.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.78 -47.03 82.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.438 1.017 . . . . 0.0 113.325 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -51.64 68.85 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.721 -1.237 . . . . 0.0 112.346 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.66 -9.78 58.91 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.947 -1.096 . . . . 0.0 113.209 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -81.07 -49.54 10.76 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.365 -1.46 . . . . 0.0 111.202 168.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.47 -54.89 16.34 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.746 1.218 . . . . 0.0 112.673 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.0 p -84.41 85.73 7.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.697 1.237 . . . . 0.0 111.56 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -70.54 151.88 44.58 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.232 -1.542 . . . . 0.0 111.859 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 C--N 1.357 0.912 0 O-C-N 120.193 -1.567 . . . . 0.0 112.576 -164.764 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.63 -46.7 72.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 C-N-CA 125.033 1.333 . . . . 0.0 113.592 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.38 -42.43 73.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.952 1.301 . . . . 0.0 114.008 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -83.44 -24.41 31.86 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.661 -1.274 . . . . 0.0 111.604 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 137.31 -30.54 2.61 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 120.321 -1.487 . . . . 0.0 113.795 162.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.85 138.61 32.45 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 121.11 -1.229 . . . . 0.0 113.843 -165.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 4.3 m -76.08 155.31 34.89 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 119.995 -1.691 . . . . 0.0 112.15 173.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -29.35 -47.02 0.06 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 158.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -73.56 -28.66 61.97 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.406 -2.059 . . . . 0.0 113.168 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.84 -34.66 51.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.31 2.244 . . . . 0.0 109.401 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.07 75.0 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.809 -1.182 . . . . 0.0 111.795 166.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.3 -37.89 86.46 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.057 -1.652 . . . . 0.0 110.67 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.06 -39.28 57.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 O-C-N 119.494 -2.004 . . . . 0.0 114.751 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.58 -47.06 77.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.308 1.443 . . . . 0.0 110.902 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -61.8 -42.94 99.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.042 1.737 . . . . 0.0 113.438 166.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 89.2 mtp -74.99 -66.85 0.71 Allowed 'General case' 0 CA--C 1.531 0.232 0 O-C-N 117.245 -3.41 . . . . 0.0 114.803 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -91.79 -41.3 10.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.831 -1.168 . . . . 0.0 111.947 -165.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -71.08 -24.95 62.42 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.488 -0.758 . . . . 0.0 111.222 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.18 29.32 56.74 Favored Glycine 0 C--N 1.346 1.106 0 O-C-N 121.143 -0.973 . . . . 0.0 115.483 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -101.91 126.75 55.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 118.966 1.383 . . . . 0.0 109.633 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -86.96 85.27 7.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.732 -1.23 . . . . 0.0 111.484 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -93.86 64.79 3.47 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.105 -1.622 . . . . 0.0 111.112 171.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -120.74 -20.24 7.08 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.411 -1.431 . . . . 0.0 112.705 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 55.0 p -97.14 -152.13 0.38 Allowed 'General case' 0 C--N 1.344 0.363 0 O-C-N 120.504 -1.373 . . . . 0.0 111.325 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.24 113.45 7.42 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.537 2.335 . . . . 0.0 112.011 -166.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -127.4 85.06 2.32 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.986 -1.071 . . . . 0.0 110.127 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.95 170.79 9.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.132 1.373 . . . . 0.0 111.915 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 41.2 tp -80.56 -23.51 39.88 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 119.028 -2.295 . . . . 0.0 111.644 -159.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.03 -41.97 73.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.283 -1.511 . . . . 0.0 111.317 164.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.42 -40.64 95.16 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 126.175 1.79 . . . . 0.0 113.857 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 88.2 t -55.77 -45.59 79.51 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 O-C-N 120.305 -1.497 . . . . 0.0 114.335 164.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.31 -36.94 93.77 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 120.151 -1.593 . . . . 0.0 112.747 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -77.82 -24.03 48.85 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.973 -1.31 . . . . 0.0 109.412 -172.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -76.29 -18.52 58.93 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.913 -1.742 . . . . 0.0 112.641 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -20.58 56.56 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.535 -1.978 . . . . 0.0 113.614 170.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -68.67 -72.41 0.18 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.428 1.091 . . . . 0.0 112.727 150.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.72 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 126.066 1.747 . . . . 0.0 113.686 -165.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 91.2 m -49.38 -32.52 11.65 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 167.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -69.36 -48.73 60.41 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 117.968 -2.957 . . . . 0.0 111.315 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -49.83 -43.61 48.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 125.909 1.683 . . . . 0.0 112.606 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -53.33 -43.94 68.04 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.103 1.361 . . . . 0.0 113.94 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.7 -43.42 87.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 120.623 -1.298 . . . . 0.0 111.152 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -19.68 61.14 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.74 -1.85 . . . . 0.0 109.893 -174.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -76.66 -37.5 56.13 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.445 1.498 . . . . 0.0 112.805 166.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.9 mt -57.74 -44.84 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 119.097 -2.252 . . . . 0.0 112.68 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.86 -55.08 29.92 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 130.178 3.391 . . . . 0.0 111.062 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -39.9 -40.89 1.08 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.98 17.6 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.392 -1.443 . . . . 0.0 112.104 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 594' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -55.48 -40.35 71.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 53.4 mt -64.47 -16.83 63.14 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 174.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -96.65 -33.95 11.57 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.282 1.433 . . . . 0.0 108.031 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 120.347 -1.47 . . . . 0.0 114.625 169.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.4 tt -91.82 100.2 12.93 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 123.097 1.427 . . . . 0.0 111.992 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -50.28 -66.83 0.32 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -83.18 148.93 57.48 Favored Pre-proline 0 C--N 1.346 0.427 0 O-C-N 120.216 -1.553 . . . . 0.0 113.734 -160.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo . . . . . 0 N--CA 1.462 -0.327 0 C-N-CA 121.764 1.643 . . . . 0.0 114.984 175.153 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp . . . . . 0 N--CA 1.442 -0.865 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -107.94 -52.03 2.82 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.992 -1.068 . . . . 0.0 108.57 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.9 tp -70.03 -12.09 15.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.553 -1.342 . . . . 0.0 112.775 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -86.48 1.22 52.26 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 118.668 -2.52 . . . . 0.0 112.346 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 m -103.91 -47.61 4.15 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.914 -2.624 . . . . 0.0 103.914 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.0 t -49.39 -51.12 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.711 1.604 . . . . 0.0 110.874 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.0 65.88 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.988 -1.695 . . . . 0.0 115.406 167.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.02 -64.35 0.86 Allowed 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.082 1.353 . . . . 0.0 113.08 171.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.5 mt -45.54 -47.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 126.986 2.114 . . . . 0.0 113.774 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -68.44 -37.78 78.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 O-C-N 121.626 -0.671 . . . . 0.0 110.735 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -58.25 -55.56 33.39 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.748 -1.22 . . . . 0.0 112.851 169.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.95 -43.42 97.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 123.095 1.426 . . . . 0.0 112.292 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -14.4 62.87 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.635 1.174 . . . . 0.0 113.027 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -70.1 -60.4 2.31 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-O 125.663 2.649 . . . . 0.0 106.991 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mt -27.49 -51.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.974 1 C-N-CA 133.161 4.584 . . . . 0.0 115.474 158.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -45.95 -51.01 14.07 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.252 1.421 . . . . 0.0 111.877 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.69 -50.5 33.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.596 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -50.94 -45.78 60.74 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -170.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.25 -52.43 3.82 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.279 1.432 . . . . 0.0 111.539 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.283 73.8 m -82.04 -34.97 29.25 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -171.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.495 26.1 mmt180 73.62 -126.58 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.064 2.546 . . . . 0.0 113.426 -154.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -98.99 12.65 35.34 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 118.468 -2.645 . . . . 0.0 115.8 -165.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -50.84 -50.64 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 172.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.05 -48.0 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.961 0.801 . . . . 0.0 110.295 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 27' ' ' VAL . 2.1 t -48.99 -52.34 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 C-N-CA 127.686 2.395 . . . . 0.0 116.518 -171.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -38.88 -43.39 0.94 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 127.3 45.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 119.86 1.209 . . . . 0.0 108.825 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -63.68 -44.56 93.34 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.91 1.284 . . . . 0.0 113.205 -172.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.95 -57.32 12.16 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.951 -1.093 . . . . 0.0 112.837 174.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -50.23 -40.47 47.69 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 126.48 1.912 . . . . 0.0 114.455 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.44 -52.43 53.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.409 1.883 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.73 -46.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -166.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.48 -20.3 1.8 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.451 2.701 . . . . 0.0 116.715 173.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -67.97 -38.19 82.46 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.891 1.277 . . . . 0.0 110.297 173.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.01 7.03 7.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.328 1.851 . . . . 0.0 111.967 170.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -103.76 -58.78 1.82 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -27.9 -51.96 0.08 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 118.904 2.927 . . . . 0.0 118.904 164.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.56 -5.35 9.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 124.511 1.124 . . . . 0.0 110.908 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.29 65.35 1.95 Allowed Glycine 0 C--N 1.352 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 115.625 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.0 t -101.18 120.36 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.9 p -120.67 169.73 10.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.828 1.299 . . . . 0.0 111.92 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -163.39 125.12 2.46 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 116.903 -1.522 . . . . 0.0 107.369 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.321 4.9 mm-40 76.92 -0.46 2.97 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-N 123.737 2.971 . . . . 0.0 112.468 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.08 3.37 38.99 Favored Glycine 0 C--N 1.34 0.755 0 C-N-CA 126.546 2.022 . . . . 0.0 112.596 173.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -110.66 146.02 36.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 121.463 -1.022 . . . . 0.0 110.516 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -73.75 125.72 28.75 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 158.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -78.24 92.63 4.5 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 123.113 1.435 . . . . 0.0 114.298 -168.292 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -75.2 -178.24 3.82 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.887 -1.133 . . . . 0.0 111.536 169.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -34.63 -63.91 0.28 Allowed 'General case' 0 C--N 1.352 0.703 0 C-N-CA 128.388 2.675 . . . . 0.0 116.8 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -43.09 -68.04 0.23 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.972 3.309 . . . . 0.0 115.058 166.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -36.07 83.16 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 125.168 1.387 . . . . 0.0 112.583 -166.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.24 -58.17 8.73 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 125.897 1.679 . . . . 0.0 112.956 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 -65.58 -33.55 76.17 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.221 -1.549 . . . . 0.0 113.271 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -57.52 -57.66 11.72 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.082 0.953 . . . . 0.0 113.349 171.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -40.59 87.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.871 -1.143 . . . . 0.0 112.155 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.05 -23.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 O-C-N 121.134 -0.979 . . . . 0.0 109.257 -172.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 t -79.53 -48.45 13.83 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 119.687 -1.883 . . . . 0.0 110.176 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -88.1 6.54 35.86 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -162.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -75.93 -179.29 4.78 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.597 -1.314 . . . . 0.0 114.094 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -89.73 150.57 22.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 122.958 1.361 . . . . 0.0 112.215 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -68.53 -43.41 76.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.122 2.169 . . . . 0.0 115.664 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.66 -57.47 5.12 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.043 -1.661 . . . . 0.0 112.987 -174.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -24.45 -51.08 0.03 OUTLIER 'General case' 0 C--N 1.347 0.491 0 N-CA-C 119.481 3.141 . . . . 0.0 119.481 157.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -88.49 -21.29 24.25 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.802 -1.811 . . . . 0.0 110.325 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -81.4 -33.31 32.33 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 122.396 1.093 . . . . 0.0 108.474 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.7 m -58.3 -46.05 86.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 125.95 1.7 . . . . 0.0 111.405 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.9 -32.06 63.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 164.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.8 mt -89.38 -35.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 -165.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.88 -39.59 92.47 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.972 1.309 . . . . 0.0 111.984 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -71.8 -55.28 7.87 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.571 -1.331 . . . . 0.0 112.514 170.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -119.42 96.12 5.08 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.183 -0.948 . . . . 0.0 112.651 -176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.55 -54.03 11.85 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.395 -1.441 . . . . 0.0 112.47 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.12 -36.16 83.13 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.953 -1.092 . . . . 0.0 111.857 173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -62.47 5.46 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.052 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -76.01 -59.71 2.64 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.599 -1.53 . . . . 0.0 112.231 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.01 -33.93 74.45 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.749 -1.845 . . . . 0.0 113.411 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.35 -49.02 46.43 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 121.32 1.873 . . . . 0.0 114.01 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.04 -50.74 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 O-C-N 120.89 -1.359 . . . . 0.0 113.264 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -45.62 -50.2 13.52 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.308 2.243 . . . . 0.0 116.234 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -63.5 -45.12 92.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.254 1.422 . . . . 0.0 110.473 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -69.53 -38.26 77.45 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.868 -1.145 . . . . 0.0 113.881 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.82 -44.77 96.19 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.326 -1.484 . . . . 0.0 112.442 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.71 1.604 . . . . 0.0 112.542 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.1 tpp -64.74 -55.39 20.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.038 1.335 . . . . 0.0 114.044 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -82.76 -35.76 26.31 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 113.605 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.87 97.87 10.68 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 120.887 -1.133 . . . . 0.0 109.441 -172.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -100.15 103.0 14.45 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 120.701 -1.249 . . . . 0.0 112.487 -166.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--N 1.355 0.845 0 C-N-CA 126.033 1.733 . . . . 0.0 113.932 177.83 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.26 49.3 p-10 . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.6 t -42.1 -44.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 113.598 154.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.04 -74.74 0.1 Allowed 'General case' 0 C--N 1.35 0.623 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.89 22.18 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.769 2.077 . . . . 0.0 114.114 -168.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.77 -15.49 14.14 Favored Glycine 0 C--N 1.359 1.817 0 CA-C-N 121.228 1.831 . . . . 0.0 114.832 166.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.11 132.82 34.66 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 124.669 2.176 . . . . 0.0 115.435 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.1 m -73.13 152.72 41.05 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 112.638 -2.073 . . . . 0.0 111.772 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.88 52.68 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.838 -1.789 . . . . 0.0 113.719 169.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.79 -38.03 89.58 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 123.034 1.397 . . . . 0.0 112.741 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -74.36 -40.64 62.0 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.406 1.882 . . . . 0.0 111.123 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.74 72.15 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.237 1.015 . . . . 0.0 112.996 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -45.27 -64.23 0.77 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.239 1.416 . . . . 0.0 113.346 163.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.81 -22.53 28.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -171.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.95 -44.91 91.53 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.494 1.117 . . . . 0.0 111.966 173.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -91.5 -0.53 57.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.336 -1.478 . . . . 0.0 114.484 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 75.9 mtm -87.7 -61.53 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 O-C-N 119.908 -1.745 . . . . 0.0 109.727 169.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -89.95 -57.87 2.71 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.628 1.171 . . . . 0.0 113.264 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -68.07 -25.53 65.39 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 112.399 -165.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.91 35.85 34.01 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 120.759 -1.213 . . . . 0.0 114.891 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.4 mt -109.3 124.38 65.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.346 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 170.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.01 138.25 34.93 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.058 0.943 . . . . 0.0 110.673 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.11 76.87 1.59 Allowed 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.353 -0.842 . . . . 0.0 110.227 171.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -124.69 57.56 1.26 Allowed 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.517 -1.365 . . . . 0.0 107.373 161.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.29 169.34 13.64 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.815 -1.178 . . . . 0.0 110.89 -170.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.6 128.36 35.47 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 127.799 2.44 . . . . 0.0 111.88 160.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -123.94 114.26 19.56 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.274 0.629 . . . . 0.0 111.269 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.0 p -86.52 -176.95 6.05 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 158.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -10.85 58.56 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.595 -1.316 . . . . 0.0 111.057 171.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -82.55 -35.41 27.23 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 120.271 -1.518 . . . . 0.0 109.286 173.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.68 -43.7 97.4 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 120.347 -1.471 . . . . 0.0 112.145 170.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.24 -41.23 18.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 120.698 -1.251 . . . . 0.0 113.675 167.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -67.09 -33.47 83.51 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 119.543 -1.973 . . . . 0.0 114.83 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -70.99 -37.75 72.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.434 2.294 . . . . 0.0 111.535 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.99 -29.14 70.59 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 119.185 -2.197 . . . . 0.0 112.693 168.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -51.99 22.85 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 125.566 1.546 . . . . 0.0 112.214 173.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -49.1 -38.21 23.94 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 167.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.17 -72.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.633 -0.667 . . . . 0.0 109.713 170.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.3 m -42.8 -54.28 4.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -64.92 -45.35 86.2 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 120.797 1.635 . . . . 0.0 110.393 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.24 -42.13 89.02 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -56.0 -35.96 67.38 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 119.687 -1.883 . . . . 0.0 113.492 171.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 27.4 mt -60.24 -34.73 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 O-C-N 120.022 -1.674 . . . . 0.0 112.126 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -77.64 -21.7 51.82 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 121.487 1.949 . . . . 0.0 109.775 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -65.95 -37.97 87.41 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 118.695 -2.503 . . . . 0.0 112.136 164.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.33 -47.27 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.582 -1.324 . . . . 0.0 113.161 166.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.79 -54.05 47.24 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 124.785 1.234 . . . . 0.0 111.067 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -49.88 -49.34 49.85 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.298 2.239 . . . . 0.0 113.591 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -69.65 -44.82 69.77 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.106 -0.996 . . . . 0.0 112.106 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.29 68.58 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.403 -1.435 . . . . 0.0 114.693 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 68.6 mt -75.8 -14.16 60.3 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.51 -1.369 . . . . 0.0 113.876 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -89.05 -37.76 14.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.916 2.087 . . . . 0.0 108.846 170.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.36 -22.44 66.8 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.1 mt -78.86 158.45 28.12 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.505 1.621 . . . . 0.0 112.296 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 -54.19 2.51 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 126.383 1.873 . . . . 0.0 109.017 -160.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -80.92 140.59 50.3 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 156.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 C--N 1.322 -0.836 0 CA-C-N 122.795 2.034 . . . . 0.0 109.976 174.867 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tptt . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.1 p30 -52.48 -27.93 18.26 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 171.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.49 -33.57 64.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.307 -1.496 . . . . 0.0 110.59 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.02 -43.82 94.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 127.17 2.188 . . . . 0.0 111.86 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -59.28 -47.42 85.43 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 125.315 1.446 . . . . 0.0 111.556 170.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.26 90.3 t -57.45 -49.53 79.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.832 1.253 . . . . 0.0 111.659 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -47.7 -44.75 27.89 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.186 -1.571 . . . . 0.0 114.489 167.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -61.51 -61.18 2.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.012 0.925 . . . . 0.0 112.39 170.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -42.63 -50.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 127.442 2.297 . . . . 0.0 113.664 176.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mm -65.3 -46.7 89.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.45 1.5 . . . . 0.0 111.545 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -62.94 -52.24 63.82 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.426 -1.421 . . . . 0.0 113.641 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.62 -32.23 51.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 O-C-N 120.286 -1.509 . . . . 0.0 112.135 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -20.98 61.17 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.922 -1.737 . . . . 0.0 113.058 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 m -70.33 -45.19 66.68 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 120.27 -1.518 . . . . 0.0 108.13 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.5 mt -37.03 -63.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 128.876 2.87 . . . . 0.0 114.232 160.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.1 mt -49.77 -47.24 51.13 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.62 1.676 . . . . 0.0 113.376 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.81 -57.77 10.53 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 128.771 2.828 . . . . 0.0 113.316 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.58 -45.48 71.92 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 118.47 -2.644 . . . . 0.0 110.98 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -73.59 -51.83 15.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.254 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -116.83 -11.52 10.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.011 -1.056 . . . . 0.0 113.468 -170.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.296 8.3 tpp180 48.46 -116.75 0.84 Allowed 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.771 2.028 . . . . 0.0 116.186 176.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -92.43 -2.68 56.12 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.987 -1.696 . . . . 0.0 112.251 -170.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.64 -55.66 21.79 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.44 1.496 . . . . 0.0 110.631 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 pt -87.93 -48.85 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 O-C-N 120.612 -1.305 . . . . 0.0 112.042 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.72 -44.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 128.541 2.736 . . . . 0.0 116.325 174.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.25 -28.91 20.51 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -90.27 96.14 10.52 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -170.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.43 73.15 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 119.391 -2.068 . . . . 0.0 114.745 -161.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.57 67.61 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.031 -1.668 . . . . 0.0 114.162 166.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -54.39 -43.28 71.28 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.212 1.405 . . . . 0.0 114.77 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -54.84 -49.81 70.16 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.158 0.983 . . . . 0.0 111.738 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.07 -37.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-O 122.763 1.268 . . . . 0.0 107.963 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.25 57.88 Favored 'General case' 0 C--N 1.364 1.214 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -33.06 74.25 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.886 1.274 . . . . 0.0 110.686 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -71.25 -40.82 70.77 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 122.68 1.228 . . . . 0.0 111.06 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -67.15 -37.98 84.72 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.344 -2.097 . . . . 0.0 112.763 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.98 -53.04 2.41 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.778 2.831 . . . . 0.0 114.834 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -15.98 7.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 58.61 2.11 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 119.261 -2.15 . . . . 0.0 115.447 171.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.61 126.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 48' ' ' LYS . 70.4 p -117.84 171.84 7.78 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 119.923 -1.735 . . . . 0.0 112.257 -176.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.55 149.46 35.89 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 166.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 60.2 0.17 0.28 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.49 -16.7 44.33 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 120.567 -1.333 . . . . 0.0 111.862 -172.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -98.2 141.47 31.07 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.993 0.917 . . . . 0.0 110.557 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HA ' HG22 ' A' ' 43' ' ' THR . 63.5 mttm -74.43 122.41 22.96 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 173.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.313 0.8 OUTLIER -74.63 82.87 2.05 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 123.654 1.693 . . . . 0.0 114.479 -164.281 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -71.91 170.97 12.62 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 120.853 -1.154 . . . . 0.0 110.189 168.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -42.02 -45.79 3.98 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 127.59 2.356 . . . . 0.0 116.833 -170.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -50.71 -64.12 0.91 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.322 1.849 . . . . 0.0 113.389 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.5 m -66.2 -32.78 74.42 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.553 -1.342 . . . . 0.0 113.076 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.09 -42.19 99.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.972 -1.08 . . . . 0.0 113.573 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -76.35 -30.44 57.61 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.132 -1.605 . . . . 0.0 110.385 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.48 -53.62 56.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 125.135 1.374 . . . . 0.0 113.855 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.53 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.44 -41.95 22.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 C-N-CA 127.882 2.473 . . . . 0.0 112.655 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.2 p -65.38 -28.77 69.5 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.137 -1.602 . . . . 0.0 114.842 167.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.62 -22.09 1.87 Allowed 'General case' 0 C--N 1.349 0.554 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 165.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.26 138.17 53.69 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.915 -1.74 . . . . 0.0 113.234 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.46 178.59 6.48 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.108 0.963 . . . . 0.0 108.961 173.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -62.89 -51.59 66.37 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 119.369 -2.082 . . . . 0.0 115.396 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.1 -59.31 3.57 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 122.721 1.248 . . . . 0.0 113.1 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.251 1.7 m-20 -11.86 -77.24 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.77 3.228 . . . . 0.0 118.144 147.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.63 -37.72 85.04 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.366 -1.459 . . . . 0.0 114.387 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 121.214 -0.929 . . . . 0.0 110.842 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.2 m -52.56 -47.51 66.74 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.036 2.135 . . . . 0.0 113.474 168.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.96 -42.34 73.31 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.829 -1.169 . . . . 0.0 111.994 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mt -48.12 -48.98 12.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 126.069 1.748 . . . . 0.0 112.35 165.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.59 74.8 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.538 -1.351 . . . . 0.0 114.107 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.57 -69.04 0.45 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.467 1.107 . . . . 0.0 113.176 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -119.68 96.27 5.12 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.225 -0.922 . . . . 0.0 111.652 -163.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -64.9 -58.98 4.72 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.632 1.173 . . . . 0.0 113.212 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.8 -34.44 77.82 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.663 -1.273 . . . . 0.0 112.09 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.1 -50.51 45.54 Favored Glycine 0 C--N 1.344 1.018 0 O-C-N 120.918 -1.114 . . . . 0.0 113.528 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -78.57 -63.02 1.5 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.864 -1.374 . . . . 0.0 111.797 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -62.88 -27.85 69.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.659 -1.276 . . . . 0.0 113.216 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.31 -56.37 20.49 Favored Glycine 0 C--N 1.348 1.221 0 O-C-N 121.435 -0.79 . . . . 0.0 113.038 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.88 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 CA-C-N 120.372 2.086 . . . . 0.0 112.169 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -44.05 -61.2 1.55 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 128.361 2.664 . . . . 0.0 113.788 162.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -58.83 -41.65 87.41 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.55 -41.41 75.94 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.904 -1.122 . . . . 0.0 111.501 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.1 tp -53.81 -59.27 4.84 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.649 1.58 . . . . 0.0 114.578 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.9 -20.31 61.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 121.267 -0.896 . . . . 0.0 112.298 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -71.51 -63.52 1.1 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.226 -0.921 . . . . 0.0 111.66 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -9.6 57.49 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -167.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -83.62 144.67 29.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.896 -1.752 . . . . 0.0 113.166 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.45 125.99 17.94 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.707 1.603 . . . . 0.0 114.925 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 N--CA 1.451 -0.418 0 O-C-N 120.912 -1.117 . . . . 0.0 109.969 173.83 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.11 -44.71 83.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 O-C-N 120.946 -1.096 . . . . 0.0 111.072 173.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.76 -56.51 20.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 549' ' ' ALA . . . . . 0.406 ' HB2' HG11 ' B' ' 576' ' ' VAL . . . -78.81 -25.0 44.2 Favored 'General case' 0 C--N 1.372 1.56 0 CA-C-N 122.244 2.293 . . . . 0.0 112.579 -172.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 115.36 -11.15 19.5 Favored Glycine 0 CA--C 1.496 -1.129 0 O-C-N 120.962 -1.086 . . . . 0.0 113.603 166.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.97 131.81 34.43 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 123.896 1.808 . . . . 0.0 113.898 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 78.2 p -74.96 165.05 25.88 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 122.537 1.161 . . . . 0.0 111.272 170.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.52 39.85 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.319 1.447 . . . . 0.0 113.719 171.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -74.2 -39.01 63.44 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 127.352 2.261 . . . . 0.0 111.316 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -75.42 -29.64 59.81 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 0.0 109.578 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.94 -37.54 61.97 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.341 -1.474 . . . . 0.0 113.116 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -46.07 -66.76 0.36 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.94 2.096 . . . . 0.0 112.363 167.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 558' ' ' VAL . . . . . 0.455 ' HA ' ' HB2' ' B' ' 561' ' ' MET . 97.8 t -54.06 -30.02 19.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.903 2.081 . . . . 0.0 114.725 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.83 -39.55 87.69 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.194 -1.566 . . . . 0.0 113.149 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -70.94 -60.36 2.28 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 119.803 -1.811 . . . . 0.0 110.588 164.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' B' ' 558' ' ' VAL . 0.2 OUTLIER -39.14 -52.24 1.9 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 178.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -108.03 -41.33 4.97 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.625 1.17 . . . . 0.0 112.265 -172.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -95.49 -13.01 24.9 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.361 -0.837 . . . . 0.0 111.227 -169.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 67.52 29.32 73.93 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 120.164 -1.585 . . . . 0.0 115.162 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.19 125.12 67.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 124.506 1.123 . . . . 0.0 108.386 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.23 100.22 10.72 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.684 -1.26 . . . . 0.0 110.533 -177.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.6 mtm -96.66 -4.73 40.41 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.902 -1.124 . . . . 0.0 112.273 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.96 54.75 0.0 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 119.67 3.211 . . . . 0.0 119.67 167.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 569' ' ' THR . . . . . 0.457 HG22 ' H ' ' B' ' 570' ' ' ASP . 0.8 OUTLIER -128.04 -175.59 3.54 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 118.562 -2.586 . . . . 0.0 108.867 -176.243 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 570' ' ' ASP . . . . . 0.457 ' H ' HG22 ' B' ' 569' ' ' THR . 28.4 t70 -74.24 114.79 13.01 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 159.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.89 97.56 5.41 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.582 1.182 . . . . 0.0 109.473 -168.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.12 161.8 30.37 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.311 1.444 . . . . 0.0 111.253 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.37 -27.47 56.42 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.162 -2.211 . . . . 0.0 111.786 -164.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.55 -45.22 95.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.347 1.859 . . . . 0.0 111.928 165.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.21 -30.59 70.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.583 2.353 . . . . 0.0 114.516 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 576' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' B' ' 549' ' ' ALA . 75.5 t -51.42 -40.57 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 O-C-N 120.563 -1.336 . . . . 0.0 114.302 164.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.16 88.11 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.431 -2.043 . . . . 0.0 113.703 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.1 -44.5 88.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 130.164 3.386 . . . . 0.0 111.529 170.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -24.32 65.25 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 118.994 -2.316 . . . . 0.0 113.636 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -54.68 11.08 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.714 -1.241 . . . . 0.0 111.632 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.95 -56.7 3.17 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 164.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.51 -62.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 124.548 1.139 . . . . 0.0 111.565 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 22.5 m -41.8 -49.27 4.39 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 166.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -69.99 -43.36 71.59 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 120.633 1.561 . . . . 0.0 110.583 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -54.79 -47.78 73.55 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.866 1.266 . . . . 0.0 111.901 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.24 -31.11 71.63 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.785 -1.197 . . . . 0.0 111.603 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.27 95.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.32 -2.113 . . . . 0.0 112.452 170.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -73.7 -20.07 60.64 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-N 123.598 2.908 . . . . 0.0 108.673 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -66.73 -37.14 84.07 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.683 -1.886 . . . . 0.0 113.914 162.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.06 -44.61 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.401 1.48 . . . . 0.0 114.612 167.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -47.48 -54.18 12.2 Favored 'General case' 0 C--N 1.364 1.227 0 C-N-CA 126.345 1.858 . . . . 0.0 110.248 176.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.07 -43.93 20.56 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 127.622 2.369 . . . . 0.0 114.464 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -81.7 -26.66 34.46 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.78 -1.2 . . . . 0.0 111.309 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.73 -34.05 46.18 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.777 -1.202 . . . . 0.0 111.199 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.27 5.46 3.56 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.291 -1.506 . . . . 0.0 113.556 168.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -107.31 -20.95 13.11 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 126.554 1.942 . . . . 0.0 110.392 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -70.56 -26.0 63.35 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 118.663 -2.523 . . . . 0.0 113.461 158.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.43 159.7 19.9 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.412 1.577 . . . . 0.0 112.71 164.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -154.88 -47.35 0.09 Allowed 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 126.69 1.996 . . . . 0.0 107.463 -162.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -72.47 124.4 90.74 Favored Pre-proline 0 C--N 1.352 0.705 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 157.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo . . . . . 0 CA--C 1.512 -0.585 0 CA-C-N 123.842 2.408 . . . . 0.0 115.553 -163.201 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.8 mttp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.68 -53.35 7.24 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.616 -1.302 . . . . 0.0 110.364 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.07 -25.09 35.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.5 -41.78 96.24 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 118.892 -2.38 . . . . 0.0 114.267 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.7 m -60.59 -40.6 92.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.624 -1.923 . . . . 0.0 110.75 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -57.08 -54.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 125.404 1.482 . . . . 0.0 111.887 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -48.77 -49.12 40.09 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.332 1.853 . . . . 0.0 113.605 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.62 -56.18 25.54 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.965 0.906 . . . . 0.0 112.505 174.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -45.66 -52.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.96 1.704 . . . . 0.0 114.726 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 27.6 pt -68.61 -42.66 83.52 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 O-C-N 120.868 -1.145 . . . . 0.0 111.81 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.3 m -60.74 -46.29 91.0 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.046 1.338 . . . . 0.0 112.499 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.18 -30.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 O-C-N 119.826 -1.796 . . . . 0.0 111.818 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.68 -22.06 54.5 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 120.017 -1.677 . . . . 0.0 114.519 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -70.9 -47.27 60.05 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.877 -1.764 . . . . 0.0 108.949 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -32.3 -52.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 129.413 3.085 . . . . 0.0 116.734 156.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.1 mt -48.61 -54.8 13.2 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 120.239 1.382 . . . . 0.0 111.856 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.9 mm -64.59 -38.67 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 127.881 2.472 . . . . 0.0 111.281 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -59.7 3.23 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 123.848 1.785 . . . . 0.0 110.465 -176.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -81.31 -59.13 2.75 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.624 2.37 . . . . 0.0 112.67 -163.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -107.41 -2.36 20.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.036 -1.04 . . . . 0.0 111.332 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.309 32.4 mtm180 63.4 -127.8 0.52 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.685 1.594 . . . . 0.0 114.614 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -93.95 -6.18 46.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.199 -1.563 . . . . 0.0 112.961 -167.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.67 -48.2 80.33 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 pt -83.12 -40.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.407 1.083 . . . . 0.0 111.198 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.94 -42.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 128.85 2.86 . . . . 0.0 114.443 163.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -56.96 -36.24 70.06 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.048 1.739 . . . . 0.0 114.369 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -86.32 89.44 7.86 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -71.42 -21.23 62.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.445 -2.034 . . . . 0.0 115.607 -157.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -54.72 22.73 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.043 0.937 . . . . 0.0 113.089 164.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.04 -41.2 62.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 126.921 2.088 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.56 -52.13 64.77 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.57 1.148 . . . . 0.0 112.377 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.43 -44.6 79.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 CA-C-O 122.215 1.007 . . . . 0.0 108.584 -171.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -52.24 -22.86 4.81 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 128.289 2.635 . . . . 0.0 116.961 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -41.17 67.82 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.982 0.913 . . . . 0.0 110.318 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.17 -44.37 92.27 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.144 0.973 . . . . 0.0 109.91 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.15 -52.55 64.84 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.046 1.339 . . . . 0.0 113.114 175.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -39.33 -55.7 1.68 Allowed 'General case' 0 C--N 1.35 0.621 0 C-N-CA 127.617 2.367 . . . . 0.0 116.151 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 pt -87.39 -21.58 7.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 O-C-N 120.91 -1.119 . . . . 0.0 112.214 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.71 37.0 4.35 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 120.105 -1.622 . . . . 0.0 114.475 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.67 106.76 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -124.96 -178.91 4.33 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.085 -1.009 . . . . 0.0 109.483 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -142.95 129.46 20.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 174.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 48.3 29.26 1.86 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.27 -8.36 77.52 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 126.044 1.783 . . . . 0.0 113.702 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -99.65 137.65 37.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.545 -1.562 . . . . 0.0 110.514 -172.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -84.08 124.83 31.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.065 -1.022 . . . . 0.0 109.233 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 99.34 11.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 -158.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -63.26 179.69 0.4 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 125.757 1.623 . . . . 0.0 113.485 162.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -63.05 -39.54 95.05 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.808 -1.182 . . . . 0.0 113.001 -170.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -52.2 -59.93 3.81 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.944 1.698 . . . . 0.0 114.442 164.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -66.76 -34.79 78.62 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.595 -1.316 . . . . 0.0 113.021 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.21 -51.97 66.75 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.629 1.572 . . . . 0.0 110.696 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -69.62 -26.28 64.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.55 -1.344 . . . . 0.0 112.923 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.23 89.84 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 119.949 -1.72 . . . . 0.0 112.337 166.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -33.85 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 120.838 -1.164 . . . . 0.0 113.035 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.99 -41.84 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.033 2.133 . . . . 0.0 112.946 166.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -59.21 -51.1 71.43 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.268 -2.145 . . . . 0.0 115.275 173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.1 -29.51 60.72 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 128.304 2.641 . . . . 0.0 118.046 -172.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.18 147.87 31.12 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.826 -1.171 . . . . 0.0 113.285 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -76.36 179.47 5.8 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 123.23 1.49 . . . . 0.0 113.212 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -68.39 -40.08 81.49 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.603 -1.311 . . . . 0.0 111.977 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -59.28 -62.81 1.61 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.391 1.476 . . . . 0.0 113.22 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.309 88.2 m-20 -33.68 -63.37 0.26 Allowed 'General case' 0 C--N 1.349 0.552 0 C-N-CA 128.503 2.721 . . . . 0.0 116.377 168.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -43.91 -60.51 1.8 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.87 3.268 . . . . 0.0 115.505 169.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -75.53 -29.77 59.55 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.239 -0.913 . . . . 0.0 110.685 -172.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.7 m -56.23 -45.4 79.98 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 126.528 1.931 . . . . 0.0 113.376 166.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.7 -48.92 67.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.388 -1.445 . . . . 0.0 113.437 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.3 mt -52.6 -47.51 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 112.195 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -72.7 -16.57 61.68 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 119.898 -1.751 . . . . 0.0 114.253 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.99 -65.27 0.9 Allowed 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.567 -1.333 . . . . 0.0 110.471 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -127.47 99.18 5.51 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.9 -58.02 4.01 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.421 1.105 . . . . 0.0 109.926 -168.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -70.31 -32.73 70.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.096 2.158 . . . . 0.0 112.282 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.95 -56.62 21.48 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 125.078 1.323 . . . . 0.0 113.41 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -64.02 -39.13 93.41 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.853 -1.381 . . . . 0.0 111.413 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -52.9 -49.71 65.35 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 114.184 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.54 96.11 Favored Glycine 0 C--N 1.355 1.611 0 O-C-N 120.344 -1.472 . . . . 0.0 113.553 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.83 -49.67 82.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 O-C-N 121.698 -0.883 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -46.72 -66.73 0.36 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 163.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -71.68 -25.41 62.09 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -167.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -81.78 -38.93 24.85 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.564 -1.335 . . . . 0.0 110.76 171.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.35 -48.58 80.65 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.256 -1.528 . . . . 0.0 113.216 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -60.26 -38.79 84.58 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.719 -1.238 . . . . 0.0 114.185 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -78.47 -43.2 27.67 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.708 0.803 . . . . 0.0 112.407 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -81.01 -32.44 34.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.751 -1.218 . . . . 0.0 113.951 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -66.98 117.79 9.54 Favored 'General case' 0 C--N 1.359 0.997 0 O-C-N 119.856 -1.778 . . . . 0.0 113.188 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -42.42 97.26 0.01 OUTLIER 'General case' 0 C--N 1.358 0.97 0 C-N-CA 127.182 2.193 . . . . 0.0 116.68 -170.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 125.675 1.59 . . . . 0.0 114.772 -179.668 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 119.704 -0.189 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 85.7 t -61.49 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.398 -1.439 . . . . 0.0 112.277 172.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 47.1 mt -58.46 -46.63 86.19 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -86.49 -32.15 20.93 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 120.203 1.365 . . . . 0.0 112.001 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 121.55 -18.92 8.64 Favored Glycine 0 CA--C 1.494 -1.219 0 O-C-N 120.629 -1.294 . . . . 0.0 112.101 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.271 0.8 OUTLIER -79.26 135.85 36.88 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 124.498 2.094 . . . . 0.0 116.3 -167.317 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 82.4 p -88.02 169.72 11.73 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.898 -167.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.52 64.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.69 -1.257 . . . . 0.0 112.259 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -72.06 -50.22 30.19 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.479 -1.388 . . . . 0.0 109.556 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -58.12 -53.22 60.75 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.862 2.865 . . . . 0.0 113.315 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.43 -18.65 63.75 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.118 -0.989 . . . . 0.0 112.655 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -79.83 -44.21 20.97 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 120.158 -1.589 . . . . 0.0 109.546 170.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 9.1 t -55.34 -33.37 31.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 O-C-N 120.133 -1.604 . . . . 0.0 114.558 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.31 -53.69 52.97 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 126.256 1.822 . . . . 0.0 112.299 173.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -82.46 -12.51 57.8 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 96.3 mtp -73.86 -68.53 0.51 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 118.961 -2.337 . . . . 0.0 113.273 162.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -95.9 -42.93 8.06 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 126.105 1.762 . . . . 0.0 113.044 -160.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.67 -15.15 59.88 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 121.85 -0.531 . . . . 0.0 111.012 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 81.64 24.37 56.22 Favored Glycine 0 CA--C 1.485 -1.806 0 O-C-N 121.152 -0.968 . . . . 0.0 114.443 170.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.59 110.62 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.055 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -81.78 96.67 7.66 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.2 ptp -107.53 70.27 0.77 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 122.778 1.275 . . . . 0.0 110.493 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.86 41.4 3.37 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.273 -1.517 . . . . 0.0 111.336 -167.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 17.4 p -133.68 -178.64 5.1 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.761 -1.212 . . . . 0.0 110.69 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -59.62 71.42 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.981 2.512 . . . . 0.0 115.63 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -71.71 110.73 6.45 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.6 p -88.11 164.12 15.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.634 1.574 . . . . 0.0 110.774 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.35 -26.25 62.92 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.94 -41.05 87.65 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.175 -2.203 . . . . 0.0 113.265 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -71.16 -27.76 63.77 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.229 1.411 . . . . 0.0 111.805 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 576' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' B' ' 579' ' ' GLN . 57.6 t -61.02 -39.43 82.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 119.289 -2.132 . . . . 0.0 112.332 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -66.43 -40.34 94.4 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 119.69 -1.881 . . . . 0.0 114.569 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -54.6 -44.46 73.09 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.586 1.954 . . . . 0.0 115.075 163.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 579' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' B' ' 576' ' ' VAL 0.256 3.5 pt20 -70.47 -33.85 71.73 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 122.682 2.492 . . . . 0.0 112.72 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -34.18 77.43 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 120.176 -1.577 . . . . 0.0 114.845 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.74 -74.21 0.07 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.196 1.398 . . . . 0.0 113.116 161.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.79 -60.34 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 128.143 2.577 . . . . 0.0 111.381 -168.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -36.17 64.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 171.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -75.36 -46.97 29.8 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 118.733 -2.479 . . . . 0.0 109.068 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -51.18 -26.32 6.72 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.936 2.094 . . . . 0.0 114.19 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -70.3 -23.85 62.92 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.757 -1.214 . . . . 0.0 111.925 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 60.9 mt -76.27 -39.29 34.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 119.356 -2.09 . . . . 0.0 112.474 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.97 -48.1 0.39 Allowed 'General case' 0 C--N 1.344 0.365 0 N-CA-C 118.062 2.616 . . . . 0.0 118.062 147.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -80.35 -36.22 34.42 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.666 -1.271 . . . . 0.0 113.269 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.3 mt -55.76 -47.9 78.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 126.789 2.036 . . . . 0.0 113.728 167.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -36.19 74.53 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 121.812 0.815 . . . . 0.0 111.743 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.1 95.24 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.574 1.549 . . . . 0.0 112.267 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -67.03 -53.47 30.89 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.652 1.215 . . . . 0.0 110.62 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 594' ' ' ALA . . . . . 0.494 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -59.61 -31.62 69.65 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.27 -0.84 51.4 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 173.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -83.7 -37.01 23.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.014 -1.679 . . . . 0.0 108.872 160.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -76.58 -28.93 56.38 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.114 -2.241 . . . . 0.0 115.819 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.52 100.85 13.53 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.003 -1.686 . . . . 0.0 110.445 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -84.12 -3.35 58.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -170.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.39 128.85 57.72 Favored Pre-proline 0 C--N 1.349 0.574 0 O-C-N 119.388 -2.07 . . . . 0.0 112.5 176.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo . . . . . 0 N--CA 1.462 -0.357 0 C-N-CA 121.805 1.67 . . . . 0.0 114.853 177.664 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tptm . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.557 0.694 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -100.91 -58.53 1.87 Allowed 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.626 1.17 . . . . 0.0 109.726 171.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tp -61.81 -31.82 52.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 124.927 1.291 . . . . 0.0 114.372 -165.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.22 -46.12 62.15 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.605 1.962 . . . . 0.0 114.128 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -70.55 -40.37 73.44 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 111.47 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.24 -48.06 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.407 -0.808 . . . . 0.0 111.783 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -52.53 -36.69 56.02 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.535 1.534 . . . . 0.0 114.116 167.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' CD ' HH21 ' B' ' 562' ' ' ARG . 7.0 tp10 -64.26 -60.49 3.13 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.058 0.943 . . . . 0.0 111.235 173.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -47.94 -49.17 11.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 127.421 2.289 . . . . 0.0 113.243 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 tp -64.35 -46.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 120.93 -1.106 . . . . 0.0 112.689 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 m -63.98 -47.16 81.49 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.307 -1.496 . . . . 0.0 112.97 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.97 -27.95 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.775 -1.203 . . . . 0.0 112.372 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.67 58.95 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 119.141 -2.225 . . . . 0.0 113.157 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 t -69.61 -48.89 58.48 Favored 'General case' 0 C--N 1.367 1.327 0 CA-C-O 123.211 1.481 . . . . 0.0 107.093 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.4 mt -35.42 -59.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 128.536 2.734 . . . . 0.0 115.093 161.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.51 -47.58 48.65 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 123.02 1.39 . . . . 0.0 112.453 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 mm -63.43 -62.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 C-N-CA 126.751 2.02 . . . . 0.0 111.931 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -70.78 -23.68 62.44 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.727 -1.858 . . . . 0.0 111.835 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -84.35 -64.49 1.15 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.432 1.093 . . . . 0.0 111.445 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -113.83 -5.69 13.25 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -162.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.284 1.4 tpp85 55.74 -127.61 2.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 169.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -91.02 -12.03 37.06 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 119.947 -1.721 . . . . 0.0 111.375 -165.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -64.68 -48.55 74.34 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.26 1.024 . . . . 0.0 111.868 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 pt -85.2 -45.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 121.388 -0.82 . . . . 0.0 112.58 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.39 -32.95 46.49 Favored 'Isoleucine or valine' 0 C--N 1.365 1.24 0 CA-C-O 123.451 1.596 . . . . 0.0 112.803 -160.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -43.69 -45.53 7.04 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 130.517 3.527 . . . . 0.0 114.391 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -67.77 119.54 12.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.528 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mmt-85 -61.99 -49.34 76.48 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -171.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.37 -34.0 55.14 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 121.018 -1.051 . . . . 0.0 113.763 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -62.07 -36.12 80.71 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -61.6 -63.79 1.16 Allowed 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.177 -1.577 . . . . 0.0 113.541 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -22.6 -63.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.616 2.767 . . . . 0.0 114.775 145.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.15 81.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 118.865 -2.397 . . . . 0.0 116.22 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.23 -42.81 93.02 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 125.179 1.392 . . . . 0.0 110.62 175.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.69 -38.1 77.51 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.929 -1.107 . . . . 0.0 112.387 173.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.66 -47.14 67.29 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.452 -1.405 . . . . 0.0 111.672 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -49.03 -56.25 9.54 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.43 -9.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.187 -1.571 . . . . 0.0 110.267 175.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.57 62.34 1.79 Allowed Glycine 0 CA--C 1.486 -1.748 0 O-C-N 121.383 -0.823 . . . . 0.0 114.167 158.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -89.43 129.53 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-O 124.678 2.18 . . . . 0.0 109.161 170.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -110.33 138.47 46.68 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 128.233 2.613 . . . . 0.0 109.34 -165.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -159.22 160.45 35.38 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 164.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 58.1 21.3 7.78 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 124.231 1.967 . . . . 0.0 113.608 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.56 3.05 90.12 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 126.571 2.034 . . . . 0.0 112.622 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -117.0 162.19 18.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.01 1.724 . . . . 0.0 109.289 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.642 ' H ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -79.29 132.32 36.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 153.174 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.393 4.0 pp -71.87 103.37 3.14 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 -161.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -85.15 -168.48 2.24 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 119.886 -1.759 . . . . 0.0 112.644 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.88 -42.34 93.53 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -163.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.28 -50.49 46.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 122.496 1.141 . . . . 0.0 112.135 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 m -63.85 -34.57 78.22 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.312 1.845 . . . . 0.0 113.134 -171.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.371 2.268 . . . . 0.0 112.092 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 120.403 -1.435 . . . . 0.0 112.023 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -53.46 -54.64 34.13 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.576 1.951 . . . . 0.0 112.887 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -32.36 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 119.993 -1.692 . . . . 0.0 112.956 -170.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.58 -23.98 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 125.763 1.625 . . . . 0.0 112.826 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 m -67.79 -43.01 80.73 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 119.469 -2.019 . . . . 0.0 114.131 161.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.21 -20.6 62.98 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 120.349 3.462 . . . . 0.0 120.349 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.32 144.95 37.68 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 119.448 -2.032 . . . . 0.0 112.04 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.6 p -74.47 174.15 9.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.278 -1.514 . . . . 0.0 113.901 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.91 -37.82 85.07 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 120.069 -1.645 . . . . 0.0 113.175 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.83 -51.11 69.58 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.761 -1.837 . . . . 0.0 113.787 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 3.2 m-20 -48.96 -55.0 13.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 125.671 2.653 . . . . 0.0 113.586 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -56.18 -51.56 67.59 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.722 2.809 . . . . 0.0 113.82 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -71.39 -35.28 71.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -174.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 m -52.0 -39.16 59.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.958 1.303 . . . . 0.0 114.053 165.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 119.348 -2.095 . . . . 0.0 113.15 169.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -50.18 -46.28 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.924 1.69 . . . . 0.0 112.365 171.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -62.85 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.09 1.756 . . . . 0.0 113.82 165.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.98 -51.61 63.49 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -171.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -131.84 68.3 1.5 Allowed 'General case' 0 CA--C 1.509 -0.631 0 O-C-N 120.791 -1.193 . . . . 0.0 109.436 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -53.48 -49.48 67.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.351 1.46 . . . . 0.0 113.956 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.06 -42.15 94.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.18 -27.63 55.31 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 119.66 -1.9 . . . . 0.0 112.242 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.8 -56.81 8.76 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.428 -1.042 . . . . 0.0 110.479 173.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.06 -44.53 41.84 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.149 2.18 . . . . 0.0 113.327 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.97 3.36 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 125.042 1.306 . . . . 0.0 113.749 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.62 -33.95 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 119.843 -1.974 . . . . 0.0 112.897 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -32.27 -57.15 0.33 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.493 2.317 . . . . 0.0 116.569 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -57.8 -62.6 1.69 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.554 1.942 . . . . 0.0 112.599 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -55.4 -38.9 69.51 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.267 1.427 . . . . 0.0 113.54 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.91 -61.4 2.33 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.101 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.0 -29.61 66.73 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.029 -1.67 . . . . 0.0 114.065 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.6 mtm -66.09 -51.43 58.08 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.668 -1.27 . . . . 0.0 112.692 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -85.3 -31.47 23.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.034 -1.041 . . . . 0.0 113.737 -171.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -65.5 118.87 10.08 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.067 -1.646 . . . . 0.0 113.74 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -41.29 130.57 2.88 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 129.329 3.052 . . . . 0.0 116.861 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 pttm . . . . . 0 C--N 1.347 0.473 0 O-C-N 119.883 -1.76 . . . . 0.0 114.094 -177.365 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.336 2.7 p30 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.15 -39.97 85.8 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 119.939 -1.726 . . . . 0.0 112.722 167.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.29 -55.45 28.12 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.68 1.127 . . . . 0.0 113.655 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -38.48 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.353 0.744 0 N-CA-C 119.277 3.065 . . . . 0.0 119.277 160.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 109.21 -27.29 12.9 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 120.742 -1.224 . . . . 0.0 112.143 -165.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -88.09 124.13 33.46 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.45 -1.03 . . . . 0.0 110.439 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 552' ' ' THR . . . . . 0.526 HG22 ' H ' ' B' ' 553' ' ' ALA . 0.2 OUTLIER -75.55 -171.06 1.4 Allowed 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.376 -1.453 . . . . 0.0 113.652 -172.196 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 553' ' ' ALA . . . . . 0.526 ' H ' HG22 ' B' ' 552' ' ' THR . . . -52.29 -57.24 10.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -76.03 -28.73 57.82 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.208 -1.557 . . . . 0.0 111.564 -165.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.33 -47.98 62.54 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.254 2.221 . . . . 0.0 112.342 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.44 -24.08 65.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 121.179 -0.951 . . . . 0.0 112.688 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -79.33 -44.9 20.69 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.719 -1.238 . . . . 0.0 109.281 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 558' ' ' VAL . . . . . 0.415 ' HA ' ' HB2' ' B' ' 561' ' ' MET . 4.9 p -73.72 -17.41 17.37 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.103 -1.623 . . . . 0.0 114.776 -179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 25.7 mt -68.32 -28.6 67.3 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.287 1.435 . . . . 0.0 112.541 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -73.85 0.12 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.834 1.254 . . . . 0.0 109.919 152.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 561' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' B' ' 558' ' ' VAL . 79.0 mtp -37.73 -46.92 0.94 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 119.908 3.299 . . . . 0.0 119.908 -169.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 562' ' ' ARG . . . . . 0.402 HH21 ' CD ' ' A' ' 10' ' ' GLU . 25.7 mmt180 -112.34 -38.13 4.78 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.761 1.225 . . . . 0.0 112.658 -172.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -93.74 -18.91 21.58 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 123.742 0.817 . . . . 0.0 110.445 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.14 79.55 Favored Glycine 0 C--N 1.348 1.203 0 C-N-CA 124.494 1.045 . . . . 0.0 115.196 174.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.24 132.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-O 121.876 0.846 . . . . 0.0 109.551 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -92.4 95.3 9.58 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.946 -1.096 . . . . 0.0 108.762 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.77 61.17 0.8 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 123.779 1.752 . . . . 0.0 111.647 168.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.42 -16.08 7.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.158 1.783 . . . . 0.0 113.419 -167.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 19.9 p -75.58 -103.88 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.03 136.27 50.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.485 2.714 . . . . 0.0 109.129 -168.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -126.2 152.62 45.79 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.836 1.303 . . . . 0.0 111.949 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 17.5 p -123.69 167.15 14.36 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 162.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.2 -19.51 46.85 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.203 -1.561 . . . . 0.0 109.685 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.83 -54.77 38.01 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 125.2 1.4 . . . . 0.0 112.66 159.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.41 -20.07 59.13 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.08 -42.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.278 -1.514 . . . . 0.0 110.535 161.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.55 -51.31 49.03 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 124.235 0.922 . . . . 0.0 114.259 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -71.24 -28.78 64.42 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 119.093 1.446 . . . . 0.0 110.956 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -18.64 63.64 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.755 -1.84 . . . . 0.0 113.27 170.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.4 -61.74 1.76 Allowed 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.204 -1.56 . . . . 0.0 112.035 173.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -22.18 -69.54 0.03 OUTLIER 'General case' 0 C--N 1.348 0.531 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 151.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.51 -63.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.126 0.97 . . . . 0.0 112.584 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 2.4 m -55.62 -34.73 65.16 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 118.424 2.75 . . . . 0.0 118.424 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -71.17 -49.97 38.26 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.026 -2.296 . . . . 0.0 111.997 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.79 -48.16 15.59 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.662 1.585 . . . . 0.0 112.874 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 172.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.54 -36.64 77.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.109 -1.619 . . . . 0.0 111.538 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -74.39 -19.29 60.48 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 119.559 -1.963 . . . . 0.0 110.696 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.67 -22.06 34.74 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.759 1.623 . . . . 0.0 113.653 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.36 -39.99 79.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 120.074 -1.641 . . . . 0.0 112.732 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.31 -57.08 6.5 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.148 2.579 . . . . 0.0 112.92 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.49 -49.59 3.96 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 130.384 3.474 . . . . 0.0 115.55 167.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -71.06 -45.75 63.23 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.239 1.415 . . . . 0.0 110.321 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.94 67.72 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.521 1.128 . . . . 0.0 113.816 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.78 2.4 5.46 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.181 -1.574 . . . . 0.0 114.906 168.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -97.17 -39.99 9.01 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.057 -2.277 . . . . 0.0 108.848 166.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.18 -48.94 71.68 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.145 -1.597 . . . . 0.0 114.403 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.7 tp -92.74 103.19 15.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.984 -1.072 . . . . 0.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -90.7 -6.05 54.98 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -68.81 145.23 96.7 Favored Pre-proline 0 C--N 1.348 0.516 0 O-C-N 120.341 -1.475 . . . . 0.0 111.449 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.233 0.26 0 C-N-CA 122.373 2.049 . . . . 0.0 113.385 -172.138 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptp . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -65.27 -13.78 59.18 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.733 -1.854 . . . . 0.0 114.092 167.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.46 -27.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 125.109 1.363 . . . . 0.0 111.492 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.98 -49.21 74.23 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.263 -1.523 . . . . 0.0 114.031 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 m -66.22 -41.72 89.68 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.089 1.356 . . . . 0.0 111.052 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -56.6 -55.47 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.566 1.146 . . . . 0.0 111.511 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -48.06 -46.23 33.29 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.93 1.692 . . . . 0.0 114.13 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -58.88 -59.94 4.65 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.382 1.473 . . . . 0.0 112.952 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -52.87 -47.61 52.0 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 126.402 1.881 . . . . 0.0 114.286 175.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.56 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.232 1.013 . . . . 0.0 111.134 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.5 m -55.44 -51.55 66.54 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.357 -1.464 . . . . 0.0 113.846 167.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.21 -30.78 41.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 119.846 -1.784 . . . . 0.0 111.262 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.23 -18.89 61.79 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 119.627 -1.921 . . . . 0.0 114.377 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.1 m -76.34 -57.62 3.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 123.215 1.483 . . . . 0.0 107.916 -169.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -20.78 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 129.659 3.184 . . . . 0.0 117.094 152.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 mt -52.39 -41.65 63.34 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.39 1.09 . . . . 0.0 113.592 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.41 -61.97 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 127.114 2.166 . . . . 0.0 109.823 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.35 -37.57 87.98 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.996 -1.69 . . . . 0.0 112.609 -164.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.35 -59.04 2.29 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 112.735 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.6 p -109.34 -11.28 14.87 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 60.09 -170.89 0.14 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 128.028 2.531 . . . . 0.0 117.255 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.34 -20.81 0.01 OUTLIER 'General case' 0 C--N 1.352 0.688 0 C-N-CA 130.396 3.478 . . . . 0.0 118.233 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.89 -51.77 66.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.15 -1.594 . . . . 0.0 113.549 170.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mt -83.56 -50.18 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 O-C-N 119.95 -1.719 . . . . 0.0 111.55 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -35.54 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 129.333 3.053 . . . . 0.0 116.002 164.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -39.2 -46.21 1.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.418 2.287 . . . . 0.0 117.084 169.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -98.5 122.95 42.34 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -165.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -58.09 -42.01 84.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.18 84.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -54.02 -33.55 57.53 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 175.022 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -67.01 -59.88 3.1 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.069 -1.644 . . . . 0.0 111.76 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 mt -30.84 -65.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.346 0.431 0 C-N-CA 128.459 2.703 . . . . 0.0 114.653 149.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . . . -55.48 -33.01 63.31 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -42.11 60.04 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.635 1.174 . . . . 0.0 112.664 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.14 -35.99 81.95 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.142 -1.599 . . . . 0.0 111.743 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.38 -50.29 68.27 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 121.074 -1.016 . . . . 0.0 111.879 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.04 -54.88 2.18 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 128.058 2.543 . . . . 0.0 114.146 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.0 pt -87.65 -19.07 8.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.66 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.07 55.72 2.06 Favored Glycine 0 C--N 1.339 0.711 0 O-C-N 119.598 -1.939 . . . . 0.0 112.898 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 122.01 44.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 163.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -125.99 167.22 15.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.12 140.77 22.6 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 168.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.328 47.1 mt-10 75.43 8.87 3.79 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 122.997 2.635 . . . . 0.0 111.627 166.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.62 0.33 86.28 Favored Glycine 0 C--N 1.352 1.446 0 C-N-CA 126.313 1.911 . . . . 0.0 112.032 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.22 131.94 56.29 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 125.037 1.335 . . . . 0.0 110.7 -167.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -83.85 135.93 34.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.083 -1.635 . . . . 0.0 110.06 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.61 83.05 0.01 OUTLIER 'General case' 0 C--N 1.351 0.673 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -170.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -74.96 -177.19 3.22 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.921 -1.737 . . . . 0.0 112.607 161.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -65.9 -30.3 70.87 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.76 -53.67 25.39 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.791 -1.193 . . . . 0.0 111.283 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -55.57 -39.87 71.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 126.85 2.06 . . . . 0.0 112.53 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -61.45 2.57 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.161 1.385 . . . . 0.0 114.392 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -73.09 -25.41 60.87 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.321 -1.487 . . . . 0.0 111.916 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -50.63 -53.97 26.62 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -70.52 -15.99 19.46 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.34 -44.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 111.382 173.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -65.91 -63.32 1.11 Allowed 'General case' 0 C--O 1.237 0.443 0 C-N-CA 127.831 2.452 . . . . 0.0 114.639 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.57 75.38 9.1 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.844 2.259 . . . . 0.0 108.786 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 tp -131.31 140.4 49.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 112.83 -1.986 . . . . 0.0 107.402 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -67.62 143.46 56.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.182 1.393 . . . . 0.0 111.016 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -62.63 -43.4 98.9 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.609 -1.307 . . . . 0.0 112.734 173.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -60.34 -53.79 53.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 113.07 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.254 0.2 OUTLIER -81.28 -27.08 35.26 Favored 'General case' 0 C--N 1.364 1.226 0 O-C-N 121.065 -1.022 . . . . 0.0 113.607 -178.373 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -60.22 -34.61 73.9 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 122.256 2.298 . . . . 0.0 112.977 165.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -75.09 -26.4 59.27 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 121.002 -1.061 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . 0.272 28.5 p -55.51 -44.62 76.78 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.379 -1.45 . . . . 0.0 114.026 164.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.35 -46.49 90.01 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.978 -1.076 . . . . 0.0 112.079 172.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.66 -60.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.627 1.171 . . . . 0.0 112.905 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.01 -34.18 77.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.645 -1.91 . . . . 0.0 114.636 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -66.76 -56.5 10.21 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.703 -1.873 . . . . 0.0 112.403 172.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.59 70.55 0.75 Allowed 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.021 1.328 . . . . 0.0 110.509 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.59 -56.99 14.74 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.563 -1.335 . . . . 0.0 113.843 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.22 -26.7 59.14 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.68 4.25 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 120.274 -1.516 . . . . 0.0 113.592 -173.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.08 -56.17 8.54 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 119.879 -1.954 . . . . 0.0 110.396 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.78 -44.04 97.31 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.544 0.737 . . . . 0.0 111.747 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.72 -50.3 67.47 Favored Glycine 0 C--N 1.348 1.238 0 C-N-CA 123.847 0.737 . . . . 0.0 114.274 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.47 -43.18 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 O-C-N 119.078 -2.425 . . . . 0.0 111.145 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -36.79 85.51 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.301 -1.499 . . . . 0.0 112.404 -173.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -64.9 -49.1 71.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.777 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.16 -25.24 61.62 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 120.338 -1.476 . . . . 0.0 112.139 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.78 -36.84 78.79 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.222 -1.549 . . . . 0.0 114.319 167.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.3 -38.74 80.98 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.124 1.329 . . . . 0.0 111.507 169.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.0 ttp -68.61 -49.21 61.05 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.449 1.1 . . . . 0.0 113.795 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -80.22 -47.27 14.9 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.376 -1.453 . . . . 0.0 114.444 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.7 p -78.4 80.95 4.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.987 -1.696 . . . . 0.0 110.904 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -77.3 155.74 31.83 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.945 -1.722 . . . . 0.0 110.958 -172.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.0 pttt . . . . . 0 CA--C 1.517 -0.322 0 O-C-N 120.519 -1.363 . . . . 0.0 111.073 173.048 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.928 0.87 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 547' ' ' VAL . . . . . 0.403 HG23 ' H ' ' B' ' 547' ' ' VAL . 44.2 t -49.01 -49.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 C-N-CA 128.162 2.585 . . . . 0.0 113.454 172.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 2.2 mp -49.75 -48.3 50.29 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 126.014 1.726 . . . . 0.0 115.321 172.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.82 -34.33 52.03 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.911 -1.118 . . . . 0.0 111.439 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 130.2 -15.15 5.6 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.913 168.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.6 pp -91.96 131.71 37.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 123.368 1.556 . . . . 0.0 113.458 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 1.3 m -75.91 164.79 25.84 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.635 -1.916 . . . . 0.0 112.811 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.57 -48.32 1.41 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -57.29 -45.65 83.92 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.532 2.11 . . . . 0.0 111.511 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.47 -45.7 68.4 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 130.849 3.659 . . . . 0.0 111.788 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.88 82.08 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.107 1.432 . . . . 0.0 111.874 172.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.96 -44.23 77.21 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.754 1.621 . . . . 0.0 113.951 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.85 -25.0 37.32 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 119.781 -1.825 . . . . 0.0 113.019 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.37 -52.62 62.89 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 124.639 1.176 . . . . 0.0 111.218 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -72.41 -25.67 61.58 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 117.318 -1.325 . . . . 0.0 113.659 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 80.9 mtp -79.11 -54.85 5.58 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 123.66 2.936 . . . . 0.0 112.096 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -99.21 -56.48 2.41 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.217 1.407 . . . . 0.0 113.398 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.5 -26.61 66.43 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.633 -1.292 . . . . 0.0 112.96 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.35 38.56 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 117.077 1.591 . . . . 0.0 117.077 170.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.6 mt -106.15 128.88 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.585 2.193 . . . . 0.0 109.324 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.53 82.49 1.82 Allowed 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 120.79 -1.194 . . . . 0.0 112.49 -176.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -99.31 70.92 1.77 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.311 -1.493 . . . . 0.0 111.559 168.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.55 66.32 0.63 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 118.534 -2.604 . . . . 0.0 109.89 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 13.9 t -177.48 -179.69 0.86 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 125.596 1.559 . . . . 0.0 107.547 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -75.45 133.42 41.1 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 131.564 3.946 . . . . 0.0 111.8 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -128.86 156.81 43.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.865 0.84 . . . . 0.0 110.058 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 m -86.64 159.65 19.14 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.635 1.574 . . . . 0.0 109.022 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.67 -26.77 65.47 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.666 -1.897 . . . . 0.0 112.834 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.62 -55.94 27.68 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.43 1.892 . . . . 0.0 113.531 160.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.97 -43.88 94.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.161 2.184 . . . . 0.0 114.605 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 62.1 t -46.13 -50.23 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.753 1.221 . . . . 0.0 113.719 167.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -70.28 -36.51 70.57 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 120.803 -1.186 . . . . 0.0 113.912 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -79.01 -20.93 47.8 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 121.161 -1.199 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -77.02 -14.02 59.88 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.874 -1.766 . . . . 0.0 112.151 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.95 -67.35 0.61 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.053 1.741 . . . . 0.0 111.663 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -8.46 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 139.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.75 -64.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.743 0 C-N-CA 124.672 1.189 . . . . 0.0 112.382 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 9.5 m -41.85 -45.71 3.75 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 167.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -62.76 -45.12 94.18 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.224 -2.172 . . . . 0.0 112.143 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -50.01 -54.65 18.76 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.364 1.065 . . . . 0.0 111.874 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -56.5 -40.29 74.72 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.01 -39.04 80.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.952 -1.717 . . . . 0.0 110.718 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -74.86 -15.56 60.71 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.14 -2.225 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -79.16 -34.67 42.96 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.409 -1.432 . . . . 0.0 112.402 166.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.77 -46.65 79.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.641 -1.912 . . . . 0.0 112.835 167.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.252 2.221 . . . . 0.0 112.294 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.76 -47.43 20.76 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -79.35 -42.16 26.25 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.755 -0.59 . . . . 0.0 110.172 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.57 87.48 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.744 -1.222 . . . . 0.0 113.531 -177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.16 -5.56 45.02 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.957 1.703 . . . . 0.0 115.213 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -98.35 -34.81 10.53 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.976 1.71 . . . . 0.0 109.048 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.02 -36.97 67.08 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.247 -1.533 . . . . 0.0 114.198 171.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.0 tp -85.51 100.63 12.04 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.787 -1.196 . . . . 0.0 111.641 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -100.16 0.67 41.0 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 121.064 -1.023 . . . . 0.0 113.072 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -84.96 108.72 16.34 Favored Pre-proline 0 C--N 1.351 0.664 0 O-C-N 120.119 -1.613 . . . . 0.0 110.623 172.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo . . . . . 0 N--CA 1.457 -0.658 0 C-N-CA 122.182 1.922 . . . . 0.0 114.117 -158.023 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mttp . . . . . 0 CA--C 1.501 -0.935 0 CA-C-O 122.47 1.129 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -82.95 -31.72 27.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 120.913 -1.117 . . . . 0.0 109.087 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.01 -26.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 O-C-N 121.606 -0.684 . . . . 0.0 111.839 -167.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.5 -55.61 20.87 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 126.373 1.869 . . . . 0.0 112.624 168.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m -64.48 -43.19 94.93 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.758 1.623 . . . . 0.0 112.835 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -54.8 -53.14 35.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.703 1.601 . . . . 0.0 110.388 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -47.27 -40.39 16.59 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 126.988 2.115 . . . . 0.0 115.276 171.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.35 -58.18 5.86 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.815 -1.178 . . . . 0.0 110.166 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.41 -51.48 4.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 127.519 2.328 . . . . 0.0 113.13 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.84 -54.89 29.02 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 C-N-CA 124.945 1.298 . . . . 0.0 111.623 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.5 m -52.52 -49.6 64.49 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.149 1.379 . . . . 0.0 113.503 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -79.12 -17.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.851 1.31 . . . . 0.0 114.1 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.08 -16.25 30.06 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 119.751 -1.843 . . . . 0.0 111.148 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 t -74.42 -51.89 13.63 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.2 mt -30.68 -56.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 128.216 2.606 . . . . 0.0 114.831 162.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.62 -43.25 84.62 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.311 -1.493 . . . . 0.0 113.814 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.3 mm -61.46 -59.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 126.39 1.876 . . . . 0.0 109.533 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.49 -35.02 78.02 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.371 1.558 . . . . 0.0 112.01 -163.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -97.64 -59.54 1.75 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.712 1.605 . . . . 0.0 111.213 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -104.58 -6.53 20.44 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.753 -1.217 . . . . 0.0 113.354 -166.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 61.46 -140.7 0.49 Allowed 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -85.16 -8.42 58.61 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.365 -1.46 . . . . 0.0 112.646 -161.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -49.62 -62.04 1.78 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 129.017 2.927 . . . . 0.0 112.836 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -95.78 -27.72 4.05 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 120.15 -1.594 . . . . 0.0 112.084 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -54.96 -40.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 127.446 2.299 . . . . 0.0 114.986 167.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.71 -36.23 71.73 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.921 1.819 . . . . 0.0 113.106 173.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -79.88 99.41 7.54 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.341 -1.754 . . . . 0.0 108.929 -163.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -58.73 -42.71 89.4 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -172.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.25 -39.54 32.83 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 120.631 -1.293 . . . . 0.0 112.358 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.8 -42.71 72.14 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.909 1.284 . . . . 0.0 113.097 174.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -58.21 -57.88 10.92 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.04 1.736 . . . . 0.0 114.632 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 34' ' ' ILE . 61.8 mt -38.25 -63.55 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 129.665 3.186 . . . . 0.0 113.024 153.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -34.18 60.32 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 118.554 -2.591 . . . . 0.0 115.664 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CZ ' HG23 ' B' ' 587' ' ' ILE . 0.5 OUTLIER -64.02 -39.89 95.11 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 126.798 2.039 . . . . 0.0 112.58 177.632 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.03 -38.95 86.82 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.861 1.315 . . . . 0.0 112.34 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -74.23 -39.77 62.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 120.218 -1.551 . . . . 0.0 111.523 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -34.68 -58.57 0.5 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.765 2.426 . . . . 0.0 116.914 171.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.442 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -88.7 -13.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 121.507 0.67 . . . . 0.0 110.368 -178.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.81 66.41 2.06 Favored Glycine 0 CA--C 1.494 -1.224 0 O-C-N 120.681 -1.262 . . . . 0.0 114.194 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -80.48 113.03 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 160.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -121.42 -173.8 2.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.323 1.874 . . . . 0.0 110.158 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -166.83 126.79 1.53 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 102.834 -3.025 . . . . 0.0 102.834 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.47 55.2 mt-10 80.5 -12.2 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 CA-C-N 125.841 3.928 . . . . 0.0 114.235 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.63 12.7 68.83 Favored Glycine 0 C--N 1.349 1.251 0 C-N-CA 124.154 0.883 . . . . 0.0 111.008 -163.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -90.48 137.92 31.97 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 122.563 1.173 . . . . 0.0 111.742 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.38 143.77 38.44 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.731 1.213 . . . . 0.0 109.503 157.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.55 92.96 6.9 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.039 -1.663 . . . . 0.0 109.436 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -75.71 175.92 8.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.734 -1.229 . . . . 0.0 109.777 160.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -43.14 -44.01 4.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -55.11 -62.47 1.64 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.33 1.852 . . . . 0.0 113.758 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -64.68 -35.72 81.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 O-C-N 121.019 -1.051 . . . . 0.0 112.692 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.96 -46.93 88.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.998 0.919 . . . . 0.0 112.688 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.71 -36.38 65.22 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.335 -1.478 . . . . 0.0 110.505 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -58.59 -46.09 87.7 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.541 1.536 . . . . 0.0 114.843 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.75 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 O-C-N 120.774 -1.204 . . . . 0.0 113.743 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.0 t -60.74 -42.6 92.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 126.682 1.993 . . . . 0.0 113.624 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.3 t -57.85 -52.92 63.51 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 119.726 -1.859 . . . . 0.0 114.393 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -87.47 8.17 26.01 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.806 1.184 . . . . 0.0 113.456 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 66' ' ' LYS . 2.0 tt -57.74 129.45 41.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.078 -1.639 . . . . 0.0 113.211 171.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -68.73 142.57 54.95 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 126.231 1.812 . . . . 0.0 113.288 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.51 -53.94 49.75 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.628 1.171 . . . . 0.0 112.578 -168.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -58.21 -37.88 75.68 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -78.56 -39.3 38.13 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.495 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.544 ' HB3' HD22 ' A' ' 61' ' ' LEU 0.266 4.6 pttm -62.28 -35.46 79.08 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 123.009 2.64 . . . . 0.0 112.838 173.808 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.65 -45.01 72.9 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 122.236 1.017 . . . . 0.0 109.938 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.9 m -54.91 -38.12 67.23 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.828 2.051 . . . . 0.0 115.014 170.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.79 -42.04 97.82 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.701 -1.874 . . . . 0.0 111.375 172.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.34 -59.28 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.591 1.156 . . . . 0.0 112.379 167.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.62 -12.24 43.59 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 126.424 1.889 . . . . 0.0 114.71 -175.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.5 -61.54 2.42 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.937 -1.102 . . . . 0.0 111.91 162.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.325 0.0 OUTLIER 143.92 -19.29 0.0 OUTLIER 'General case' 0 C--N 1.361 1.069 0 C-N-CA 128.876 2.87 . . . . 0.0 114.624 172.491 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.49 127.58 28.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 -163.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.87 -27.43 68.79 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.33 1.852 . . . . 0.0 113.301 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.92 -18.28 59.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.385 -1.447 . . . . 0.0 111.046 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -72.6 -60.4 2.25 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 121.366 -1.079 . . . . 0.0 108.964 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -59.38 -31.84 69.59 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.121 -0.987 . . . . 0.0 113.516 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.0 -61.26 5.87 Favored Glycine 0 C--N 1.351 1.41 0 C-N-CA 125.609 1.576 . . . . 0.0 114.349 167.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.68 -41.0 71.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 CA-C-N 120.699 2.25 . . . . 0.0 111.74 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.06 -65.37 0.3 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.92 1.688 . . . . 0.0 114.25 166.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -63.71 -35.63 81.19 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -81.32 -30.76 33.77 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.413 -1.43 . . . . 0.0 112.146 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.7 tp -56.17 -50.16 71.96 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.382 1.473 . . . . 0.0 112.695 171.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -56.64 -48.19 78.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.064 1.346 . . . . 0.0 112.516 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 46.6 ttp -69.91 -58.05 4.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.022 1.329 . . . . 0.0 113.209 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -77.1 -38.17 52.8 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.542 -1.349 . . . . 0.0 114.485 -173.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.7 p -90.53 125.06 35.49 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.21 -1.556 . . . . 0.0 113.411 -168.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -104.9 164.69 11.6 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 167.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.452 -0.37 0 O-C-N 119.789 -1.819 . . . . 0.0 112.671 177.384 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 29.5 t -76.76 -35.29 24.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 112.71 168.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 28.6 tp -69.03 -65.54 0.69 Allowed 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.617 -1.302 . . . . 0.0 112.435 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -31.8 -59.14 0.27 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 149.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 80.08 42.62 10.6 Favored Glycine 0 C--N 1.346 1.084 0 C-N-CA 126.085 1.803 . . . . 0.0 112.254 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.8 pp -127.45 157.59 39.63 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.955 2.378 . . . . 0.0 104.698 -168.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.8 m -87.49 146.62 25.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.895 0.855 . . . . 0.0 111.211 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.8 57.74 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.359 -2.088 . . . . 0.0 114.058 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -69.05 -29.38 67.51 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.818 -1.176 . . . . 0.0 113.392 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.92 -42.85 69.34 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.398 1.479 . . . . 0.0 110.16 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.03 89.57 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.597 1.159 . . . . 0.0 112.266 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -49.94 -67.49 0.26 Allowed 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.931 1.292 . . . . 0.0 114.054 166.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.0 p -68.03 -22.58 27.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.146 0 O-C-N 119.941 -1.725 . . . . 0.0 114.598 -173.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.68 -51.99 67.02 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 125.497 1.519 . . . . 0.0 110.591 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -77.03 -20.86 55.41 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 74.2 mtm -75.18 -56.64 4.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 123.348 2.794 . . . . 0.0 114.419 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -104.21 -47.45 4.14 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.564 -1.335 . . . . 0.0 114.278 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -70.07 -26.5 64.03 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.835 -1.165 . . . . 0.0 111.927 -173.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.14 35.21 39.03 Favored Glycine 0 CA--C 1.496 -1.094 0 C-N-CA 125.037 1.303 . . . . 0.0 113.143 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -117.36 124.92 73.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 171.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.3 111.97 20.37 Favored 'General case' 0 N--CA 1.443 -0.801 0 O-C-N 120.7 -1.25 . . . . 0.0 113.036 -170.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 51.0 mtt -115.52 55.3 0.78 Allowed 'General case' 0 C--N 1.368 1.37 0 CA-C-N 120.118 1.326 . . . . 0.0 109.05 168.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -113.34 -39.39 4.14 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -165.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 74.7 p -74.53 -122.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 123.899 1.809 . . . . 0.0 115.538 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -110.45 117.14 32.77 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 129.062 2.945 . . . . 0.0 104.633 171.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.3 150.08 40.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -169.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.1 p -117.08 172.86 7.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.307 1.443 . . . . 0.0 110.234 -174.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.6 pp -45.12 -40.85 7.34 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 157.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -74.76 -50.62 16.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.591 1.556 . . . . 0.0 111.126 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . 0.334 5.5 mt-10 -63.93 -37.18 86.46 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 34.2 m -54.94 -44.12 71.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 122.385 2.357 . . . . 0.0 113.283 169.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.49 -38.58 96.57 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 124.581 1.086 . . . . 0.0 112.753 176.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -71.6 -37.99 70.92 Favored 'General case' 0 C--N 1.369 1.431 0 CA-C-O 123.037 1.399 . . . . 0.0 107.722 -172.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -72.46 -27.19 62.15 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.836 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -54.81 42.58 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.07 1.304 . . . . 0.0 112.919 168.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -60.66 2.61 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 116.932 2.197 . . . . 0.0 116.932 163.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.58 -61.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 126.275 1.83 . . . . 0.0 112.989 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.44 -36.46 6.58 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 118.221 2.674 . . . . 0.0 118.221 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -70.04 -38.68 75.91 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 121.112 1.778 . . . . 0.0 110.058 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -62.56 -49.2 76.23 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.648 -1.16 . . . . 0.0 113.346 171.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -63.18 -32.65 74.1 Favored 'General case' 0 C--N 1.361 1.096 0 O-C-N 120.305 -1.497 . . . . 0.0 112.017 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 587' ' ' ILE . . . . . 0.407 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 10.1 mt -58.99 -42.1 85.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 O-C-N 119.523 -1.986 . . . . 0.0 111.302 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -73.13 -17.78 61.36 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 123.034 2.652 . . . . 0.0 111.08 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.89 -42.72 60.28 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.102 -1.624 . . . . 0.0 111.886 168.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.99 -49.64 37.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 C-N-CA 125.268 1.427 . . . . 0.0 113.072 163.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.48 -51.83 65.66 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 125.558 1.543 . . . . 0.0 112.346 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.83 20.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.711 1.604 . . . . 0.0 114.727 170.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -76.16 -19.15 58.73 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.095 -1.628 . . . . 0.0 112.312 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -82.44 -38.71 23.61 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.167 1.387 . . . . 0.0 110.629 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.55 -9.42 58.66 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.124 -1.61 . . . . 0.0 114.439 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.5 mtm105 -88.26 -24.29 23.26 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.192 -1.568 . . . . 0.0 110.395 167.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -77.94 -40.93 37.99 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.051 -1.656 . . . . 0.0 113.964 165.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.2 tp -82.56 72.17 9.63 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-O 123.38 1.562 . . . . 0.0 110.984 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -67.3 -41.77 84.83 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 125.595 1.558 . . . . 0.0 113.174 170.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -47.71 108.71 0.95 Allowed Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 114.833 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 CA-C-N 121.642 1.622 . . . . 0.0 112.893 -162.589 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 tttp . . . . . 0 N--CA 1.438 -1.064 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -60.46 -30.94 69.99 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.844 -1.785 . . . . 0.0 112.117 173.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.18 -37.79 80.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 124.183 0.993 . . . . 0.0 111.135 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.573 1.149 . . . . 0.0 112.996 173.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -64.25 -43.16 95.75 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.901 -1.75 . . . . 0.0 110.751 170.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.61 -50.91 77.4 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 125.135 1.374 . . . . 0.0 111.1 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -49.2 -41.04 35.67 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 126.387 1.875 . . . . 0.0 114.834 169.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -65.07 -51.19 62.88 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 120.992 -1.067 . . . . 0.0 111.638 171.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -48.08 -47.16 13.11 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 124.655 1.182 . . . . 0.0 113.265 171.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.04 -55.14 23.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 120.939 -1.101 . . . . 0.0 109.762 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.1 m -53.68 -51.64 62.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 126.281 1.832 . . . . 0.0 112.973 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -77.07 -27.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 O-C-N 120.546 -1.346 . . . . 0.0 111.586 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.52 69.94 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 119.137 -2.227 . . . . 0.0 111.457 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -67.65 -32.94 73.96 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 125.37 2.509 . . . . 0.0 108.962 -169.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.86 -57.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 130.923 3.689 . . . . 0.0 110.774 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.96 -47.54 74.37 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 123.388 1.566 . . . . 0.0 113.187 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.46 -64.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.795 0 C-N-CA 126.498 1.919 . . . . 0.0 112.474 175.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.36 -19.48 59.55 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 118.075 -2.89 . . . . 0.0 114.301 -164.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -88.58 -52.11 5.34 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.662 0.785 . . . . 0.0 111.61 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -101.11 16.52 25.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 120.14 -1.6 . . . . 0.0 109.619 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.297 2.4 ttm180 46.29 -105.75 0.12 Allowed 'General case' 0 C--N 1.362 1.12 0 CA-C-N 120.439 1.472 . . . . 0.0 113.797 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.94 -4.08 9.63 Favored 'General case' 0 N--CA 1.42 -1.934 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -172.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -60.03 -43.59 95.22 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -166.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 pt -92.95 -22.55 5.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 O-C-N 118.22 -2.8 . . . . 0.0 112.105 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.0 -43.37 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 C-N-CA 127.413 2.285 . . . . 0.0 114.082 -163.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -46.38 -55.24 7.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 131.69 3.996 . . . . 0.0 113.992 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -65.22 102.76 0.69 Allowed 'General case' 0 C--N 1.354 0.773 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.958 -170.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -61.26 -47.46 85.95 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.058 -1.651 . . . . 0.0 115.251 -163.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.57 74.33 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.238 -1.539 . . . . 0.0 113.448 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.13 72.46 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.485 -1.384 . . . . 0.0 113.071 171.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.88 -54.03 47.62 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.089 -1.632 . . . . 0.0 113.833 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.412 ' H ' HG13 ' A' ' 34' ' ' ILE . 19.9 mt -40.72 -62.25 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 130.44 3.496 . . . . 0.0 113.61 156.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.78 69.1 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 119.212 -2.18 . . . . 0.0 116.023 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.35 -35.51 79.52 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 123.766 0.827 . . . . 0.0 110.939 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.23 -41.43 90.09 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.849 -1.157 . . . . 0.0 111.288 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -69.08 -51.99 33.02 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.298 -1.501 . . . . 0.0 110.65 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 40' ' ' ILE . 9.6 tp10 -25.98 -55.0 0.06 Allowed 'General case' 0 C--N 1.349 0.573 0 C-N-CA 129.511 3.124 . . . . 0.0 118.371 169.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.445 HG23 ' HG3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 -3.94 10.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 120.441 -1.412 . . . . 0.0 113.177 179.688 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 57.86 2.26 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 120.406 -1.434 . . . . 0.0 114.446 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -99.42 100.63 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 48' ' ' LYS . 17.9 p -125.81 -166.84 1.61 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.755 1.264 . . . . 0.0 108.991 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -173.9 129.9 0.4 Allowed 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 173.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.447 45.5 mt-10 63.3 13.98 7.45 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.122 -2.236 . . . . 0.0 115.371 -169.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.86 -38.71 3.0 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -61.07 107.91 0.8 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.894 0.878 . . . . 0.0 112.897 -171.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HA ' HG22 ' A' ' 43' ' ' THR . 0.0 OUTLIER -66.35 146.18 54.87 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 119.36 -2.087 . . . . 0.0 110.103 171.255 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.05 86.6 3.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 120.122 -1.611 . . . . 0.0 114.512 -158.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -75.9 168.99 19.01 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.535 1.134 . . . . 0.0 107.975 166.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.96 -24.44 66.8 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 120.567 -1.333 . . . . 0.0 114.188 -164.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -61.04 -58.03 10.12 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.521 -1.362 . . . . 0.0 112.936 165.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -67.54 -36.06 80.26 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 128.117 2.567 . . . . 0.0 112.881 -172.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -59.43 -49.88 76.09 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.535 1.134 . . . . 0.0 112.483 171.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -79.23 -30.65 43.32 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.221 -1.549 . . . . 0.0 113.59 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -50.29 -33.98 21.85 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.389 1.075 . . . . 0.0 113.78 166.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 28.9 pt -87.34 -62.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 116.563 -1.684 . . . . 0.0 113.605 165.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.86 -25.08 21.72 Favored 'Isoleucine or valine' 0 C--N 1.382 2.012 0 CA-C-N 123.288 2.767 . . . . 0.0 111.329 -150.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -91.82 -21.04 20.87 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.085 -1.009 . . . . 0.0 112.602 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.1 77.13 5.35 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 124.043 1.878 . . . . 0.0 108.97 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.2 mt -115.78 142.38 46.84 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 126.908 2.083 . . . . 0.0 106.613 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -82.97 160.91 21.93 Favored 'General case' 0 C--N 1.342 0.273 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -77.05 -37.78 54.05 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.39 -2.069 . . . . 0.0 113.25 -167.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.26 -53.74 52.28 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 126.04 1.736 . . . . 0.0 113.593 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -46.12 -63.16 1.05 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 129.387 3.075 . . . . 0.0 115.513 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -51.1 -47.54 61.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 128.338 2.655 . . . . 0.0 114.28 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.12 -38.04 87.19 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 124.322 2.011 . . . . 0.0 107.879 -170.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -59.9 -44.75 94.07 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.956 2.103 . . . . 0.0 112.951 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.86 -32.11 72.43 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.86 -1.775 . . . . 0.0 113.622 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.64 -54.36 26.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.574 1.55 . . . . 0.0 111.024 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -39.14 68.04 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.031 1.732 . . . . 0.0 115.013 172.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.17 -50.76 13.7 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.816 -1.178 . . . . 0.0 113.683 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -116.73 74.93 0.93 Allowed 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.535 -1.353 . . . . 0.0 110.587 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -64.42 -45.84 85.82 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 120.205 -1.559 . . . . 0.0 113.188 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.91 -22.35 24.43 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.521 -0.737 . . . . 0.0 111.578 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.13 -33.65 14.31 Favored Glycine 0 C--N 1.357 1.714 0 O-C-N 119.614 -1.929 . . . . 0.0 113.202 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.63 -48.09 61.16 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.957 -1.319 . . . . 0.0 109.981 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.58 -43.49 84.61 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.995 1.318 . . . . 0.0 114.056 168.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.87 60.6 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 125.89 1.71 . . . . 0.0 114.554 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.48 -53.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 124.826 1.25 . . . . 0.0 113.024 173.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -28.85 -63.08 0.11 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.321 2.249 . . . . 0.0 115.654 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -57.38 -38.21 73.87 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.282 1.7 p90 -80.43 -31.25 37.61 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.844 -1.785 . . . . 0.0 112.137 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.29 -55.13 31.23 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.85 -1.156 . . . . 0.0 112.156 173.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.27 -37.66 83.94 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.584 1.154 . . . . 0.0 113.528 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.0 -63.6 1.07 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.215 1.006 . . . . 0.0 113.546 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.45 -32.88 28.74 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.756 -1.215 . . . . 0.0 113.807 -169.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 p -98.82 87.37 3.73 Favored 'General case' 0 CA--C 1.504 -0.793 0 O-C-N 120.713 -1.242 . . . . 0.0 112.197 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.77 124.5 30.96 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -169.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm . . . . . 0 C--N 1.364 1.236 0 C-N-CA 128.097 2.559 . . . . 0.0 109.658 170.448 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.261 2.1 p30 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.22 -45.74 13.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 168.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.57 -50.03 73.13 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.099 -1.626 . . . . 0.0 114.071 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -73.13 -37.02 66.8 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.014 -1.054 . . . . 0.0 113.114 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.77 -18.93 7.07 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 120.248 -1.533 . . . . 0.0 113.417 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.12 134.72 41.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.601 1.56 . . . . 0.0 111.833 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 7.6 p -88.91 178.22 6.48 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 124.077 1.894 . . . . 0.0 115.729 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -46.69 -23.33 0.4 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.35 2.26 . . . . 0.0 116.805 156.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -71.17 -54.2 11.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.898 1.809 . . . . 0.0 111.295 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -54.3 -45.79 72.63 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.927 2.091 . . . . 0.0 113.273 172.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.3 -28.11 69.79 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.284 1.034 . . . . 0.0 113.255 174.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -70.43 -44.88 66.98 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.009 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.12 -47.29 93.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 CA-C-O 122.706 1.241 . . . . 0.0 111.682 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 69.2 mt -53.48 -36.0 61.2 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.875 2.07 . . . . 0.0 113.729 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 32.1 tpt85 -66.39 -39.49 89.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 125.339 2.495 . . . . 0.0 111.527 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.8 mtt -101.6 -62.75 1.22 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 111.122 -2.763 . . . . 0.0 112.005 -162.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -81.85 -46.15 14.54 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.085 0.945 . . . . 0.0 110.307 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.31 -31.31 63.95 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.2 47.14 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 125.218 1.389 . . . . 0.0 113.487 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 97.4 mt -107.7 132.05 56.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 119.071 1.435 . . . . 0.0 107.901 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -80.11 99.9 7.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.964 1.306 . . . . 0.0 112.74 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.6 mtp -113.61 38.85 2.8 Favored 'General case' 0 C--N 1.369 1.446 0 O-C-N 119.965 -1.709 . . . . 0.0 110.463 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -107.82 -10.86 15.49 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.981 1.312 . . . . 0.0 112.127 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 57.4 p -84.85 -175.02 5.59 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 123.129 1.442 . . . . 0.0 111.887 172.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.12 125.73 24.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.242 2.217 . . . . 0.0 112.035 160.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -119.16 118.47 31.45 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.656 1.183 . . . . 0.0 107.915 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 67.3 p -79.8 169.34 18.07 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.783 167.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.52 -26.55 58.16 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.154 -1.591 . . . . 0.0 112.27 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.44 -35.6 73.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.158 -1.589 . . . . 0.0 111.885 166.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.75 -39.03 84.22 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 119.386 -2.071 . . . . 0.0 114.209 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.23 -53.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.671 -1.268 . . . . 0.0 112.29 161.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.75 73.43 Favored Glycine 0 C--N 1.353 1.527 0 C-N-CA 125.205 1.383 . . . . 0.0 115.406 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -67.45 -38.22 84.16 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.219 -1.754 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -69.43 -19.33 63.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.736 -1.227 . . . . 0.0 112.19 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.12 -53.48 37.33 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.669 -1.27 . . . . 0.0 110.945 170.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.49 -26.55 60.08 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.193 -1.567 . . . . 0.0 112.695 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.08 -50.96 33.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 123.799 0.84 . . . . 0.0 112.141 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . 0.256 1.5 t -57.59 -36.01 71.15 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 118.753 -2.467 . . . . 0.0 116.184 167.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -59.93 -45.8 91.43 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.78 -1.825 . . . . 0.0 112.022 169.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -50.38 -55.1 17.17 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.817 1.247 . . . . 0.0 113.709 165.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -51.31 -42.52 61.24 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.054 -1.029 . . . . 0.0 113.427 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.1 -38.76 76.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 121.175 1.807 . . . . 0.0 112.858 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -69.32 -25.59 64.29 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.852 -1.78 . . . . 0.0 110.904 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -78.23 -14.29 59.5 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 119.839 -1.788 . . . . 0.0 111.795 170.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.0 mt -76.28 -40.46 35.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 O-C-N 118.515 -2.616 . . . . 0.0 107.496 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.74 -39.97 90.66 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 126.698 1.999 . . . . 0.0 110.936 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -37.26 -52.4 1.06 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 166.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -87.08 -31.96 20.2 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.339 1.543 . . . . 0.0 111.055 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.86 80.09 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.002 -1.061 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -77.98 12.28 1.86 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 163.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -97.89 -43.58 7.05 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 119.778 -1.826 . . . . 0.0 106.667 160.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -65.27 -47.28 77.23 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.369 -1.457 . . . . 0.0 114.094 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 16.2 tp -85.89 99.1 11.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.216 -0.928 . . . . 0.0 109.657 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -80.28 -26.78 38.74 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.238 1.415 . . . . 0.0 111.724 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -54.92 146.44 37.83 Favored Pre-proline 0 C--N 1.355 0.807 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo . . . . . 0 N--CA 1.462 -0.351 0 C-N-CA 122.29 1.994 . . . . 0.0 114.592 179.206 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -60.3 -23.31 64.09 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.523 -1.986 . . . . 0.0 114.302 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.98 -36.57 51.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 120.791 -1.193 . . . . 0.0 111.471 -171.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.61 -49.74 45.62 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 127.142 2.177 . . . . 0.0 115.212 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -71.28 -39.49 71.51 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.607 -1.308 . . . . 0.0 111.256 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -57.38 -52.43 56.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.009 -1.057 . . . . 0.0 112.041 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -53.1 -39.35 63.34 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.977 -1.702 . . . . 0.0 114.481 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -61.56 -55.06 35.05 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 125.303 1.441 . . . . 0.0 112.164 172.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.01 -49.51 15.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 C-N-CA 127.296 2.238 . . . . 0.0 113.736 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.75 -51.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.584 1.154 . . . . 0.0 110.896 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.2 m -56.75 -51.52 68.56 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.751 1.22 . . . . 0.0 113.019 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.04 -22.56 15.82 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.656 -1.278 . . . . 0.0 112.452 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.75 60.2 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 119.781 -1.825 . . . . 0.0 112.387 167.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 m -80.77 -49.84 10.62 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mt -32.67 -52.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 130.151 3.38 . . . . 0.0 114.777 162.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.37 -45.04 80.68 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 122.741 1.257 . . . . 0.0 113.151 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.4 mm -68.66 -57.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 125.799 1.64 . . . . 0.0 109.297 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -73.74 -40.05 63.81 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.224 -2.173 . . . . 0.0 111.702 -160.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -73.75 -52.55 12.82 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.577 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -110.89 -27.81 8.65 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.35 -1.469 . . . . 0.0 113.98 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.492 28.8 mmt180 87.92 -115.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.999 2.519 . . . . 0.0 113.987 -174.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -99.05 17.27 20.16 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.714 -1.241 . . . . 0.0 114.17 -167.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -71.45 -63.64 1.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -79.82 -32.94 14.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.259 -1.526 . . . . 0.0 108.63 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.43 -47.44 58.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.695 1.598 . . . . 0.0 113.512 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.8 -58.61 7.37 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -73.58 118.62 16.76 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.844 -164.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -69.4 -41.12 76.84 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.777 -1.202 . . . . 0.0 114.07 -163.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.88 70.22 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.709 0.804 . . . . 0.0 110.992 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.99 -33.26 70.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.933 1.693 . . . . 0.0 114.761 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -68.02 -61.75 1.72 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.717 1.207 . . . . 0.0 112.922 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.43 ' H ' HG13 ' A' ' 34' ' ' ILE . 31.6 mt -35.01 -61.01 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 129.551 3.14 . . . . 0.0 114.147 148.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.38 51.27 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 118.386 -2.696 . . . . 0.0 115.935 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -41.05 68.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 126.014 1.726 . . . . 0.0 110.879 -178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.0 mt -64.18 -48.84 74.4 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-O 121.682 0.753 . . . . 0.0 110.557 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.27 -53.33 58.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.439 1.496 . . . . 0.0 114.07 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -43.06 -51.72 5.65 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 118.218 2.673 . . . . 0.0 118.218 167.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.97 -5.18 9.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 120.196 -1.565 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.65 48.72 7.04 Favored Glycine 0 CA--C 1.495 -1.17 0 O-C-N 121.06 -1.025 . . . . 0.0 113.683 170.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -80.12 118.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 165.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 48' ' ' LYS . 51.4 p -153.3 130.74 11.36 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 123.536 0.734 . . . . 0.0 110.884 -173.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -111.91 143.36 43.0 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.63 -1.294 . . . . 0.0 110.988 170.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 54.42 22.22 3.71 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.045 1.738 . . . . 0.0 114.909 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.3 -7.48 75.52 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 119.7 -1.875 . . . . 0.0 114.917 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -101.86 135.69 42.98 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 118.378 1.089 . . . . 0.0 110.23 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HA ' HG22 ' A' ' 43' ' ' THR . 21.0 pttp -77.08 128.43 34.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 120.563 -1.336 . . . . 0.0 110.239 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.328 0.7 OUTLIER -79.12 98.27 6.48 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 119.33 -2.106 . . . . 0.0 116.145 -172.001 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -71.33 179.4 2.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.729 153.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -57.79 -35.8 71.3 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.18 -55.83 27.68 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.837 -1.165 . . . . 0.0 113.651 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.3 t -63.63 -43.54 96.52 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.968 0.907 . . . . 0.0 112.56 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.77 -52.0 61.61 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 125.82 1.648 . . . . 0.0 113.854 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -77.36 -33.46 55.29 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.625 -1.297 . . . . 0.0 113.112 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -59.64 -50.7 72.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.354 1.461 . . . . 0.0 113.338 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -36.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.765 -1.209 . . . . 0.0 112.48 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.4 t -79.44 -16.58 13.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.491 0 O-C-N 119.193 -2.192 . . . . 0.0 109.532 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.8 t -80.95 -26.21 36.81 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 126.853 2.061 . . . . 0.0 113.165 170.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -54.57 -23.87 18.61 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 120.913 3.671 . . . . 0.0 120.913 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.36 160.46 26.7 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -174.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 p -81.97 -178.22 6.92 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.202 -1.561 . . . . 0.0 113.333 -175.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.22 -51.04 61.52 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.971 1.308 . . . . 0.0 112.65 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.53 -42.7 97.02 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 124.057 0.943 . . . . 0.0 112.8 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.257 18.3 m-20 -51.2 -59.87 3.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 123.261 1.505 . . . . 0.0 114.416 173.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.5 -40.39 96.96 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.38 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -66.95 -39.73 87.35 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 123.52 0.728 . . . . 0.0 109.802 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -54.65 -48.08 72.74 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.08 0.855 . . . . 0.0 113.154 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.58 -49.0 70.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.089 -1.007 . . . . 0.0 113.193 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.5 mt -46.31 -56.06 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.042 1.737 . . . . 0.0 111.682 166.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -40.57 96.7 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 120.932 -1.105 . . . . 0.0 113.632 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.34 -52.18 36.17 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.964 0.906 . . . . 0.0 112.427 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.55 92.02 3.53 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.855 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -74.28 -47.03 37.53 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.289 1.036 . . . . 0.0 111.438 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -68.52 -37.02 79.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.709 -1.244 . . . . 0.0 111.483 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.76 -64.51 4.24 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 125.132 1.349 . . . . 0.0 114.978 171.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -71.1 -58.19 3.8 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.871 -1.37 . . . . 0.0 112.322 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -68.6 -27.55 66.14 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 121.565 -0.71 . . . . 0.0 112.852 -172.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.54 51.81 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 121.869 -0.519 . . . . 0.0 112.867 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -72.24 -47.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.076 -1.838 . . . . 0.0 113.138 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -26.58 -66.59 0.06 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 155.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.3 ttm105 -68.34 -44.88 74.33 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.931 0.892 . . . . 0.0 113.221 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.365 0.2 OUTLIER -69.55 -41.79 75.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.509 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.03 -41.35 83.02 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.826 -1.171 . . . . 0.0 112.746 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -74.72 -31.28 61.79 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.03 -30.35 18.78 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -73.78 -13.11 60.89 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.265 -1.522 . . . . 0.0 113.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -89.08 114.75 26.02 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.269 -1.52 . . . . 0.0 111.314 168.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -92.32 107.74 19.44 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 122.199 0.999 . . . . 0.0 110.988 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--N 1.353 0.73 0 C-N-CA 128.776 2.831 . . . . 0.0 117.05 166.799 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.975 0.416 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.52 -34.12 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 120.358 -1.464 . . . . 0.0 112.906 170.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 78.1 mt -75.43 -52.92 9.6 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.209 -1.557 . . . . 0.0 114.772 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -30.29 -58.38 0.19 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 117.644 2.461 . . . . 0.0 117.644 144.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 84.61 59.58 1.99 Allowed Glycine 0 CA--C 1.487 -1.702 0 C-N-CA 127.304 2.383 . . . . 0.0 111.245 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.02 148.55 45.23 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-N 121.154 2.477 . . . . 0.0 104.653 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 5.9 m -76.63 152.85 35.71 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.24 -0.913 . . . . 0.0 111.131 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.95 -33.5 62.37 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 118.86 -2.4 . . . . 0.0 114.331 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -63.47 -33.83 76.44 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.556 -1.34 . . . . 0.0 112.645 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.34 -41.58 66.32 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 125.554 1.541 . . . . 0.0 109.949 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.31 99.09 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.215 -0.928 . . . . 0.0 111.891 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -48.45 -61.59 1.93 Allowed 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.887 1.675 . . . . 0.0 115.467 168.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.51 -25.93 34.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 O-C-N 119.399 -2.063 . . . . 0.0 115.029 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.62 -49.11 64.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 110.373 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -72.1 -8.66 55.89 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 171.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.2 mtm -91.84 -65.66 0.99 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.642 -1.911 . . . . 0.0 111.534 171.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -94.64 -40.66 9.7 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.402 1.081 . . . . 0.0 112.996 -167.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -78.52 -21.99 48.02 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.879 -1.138 . . . . 0.0 111.246 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.11 16.71 57.29 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.43 1.014 . . . . 0.0 114.164 173.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 76.8 mt -102.4 121.53 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -80.85 126.0 30.8 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 120.779 -1.201 . . . . 0.0 109.296 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 15.5 ptp -142.01 52.57 1.48 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.038 0.923 . . . . 0.0 109.802 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -107.5 -20.9 13.1 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 122.277 1.037 . . . . 0.0 110.871 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 1.2 t -91.32 169.78 10.52 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.266 1.826 . . . . 0.0 109.815 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.49 113.29 1.54 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.381 2.272 . . . . 0.0 115.444 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -118.47 80.79 1.58 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.715 1.721 . . . . 0.0 108.997 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -72.41 161.37 30.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 120.654 -1.278 . . . . 0.0 111.384 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.09 -28.56 58.19 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -167.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -70.55 -41.16 72.85 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 119.517 -1.989 . . . . 0.0 111.575 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -69.9 -34.93 74.17 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 128.911 2.884 . . . . 0.0 112.133 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.38 -44.75 84.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.286 -1.509 . . . . 0.0 112.698 169.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -57.99 -48.75 80.62 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 121.103 -0.998 . . . . 0.0 114.038 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -51.92 -48.48 64.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.318 2.247 . . . . 0.0 115.662 163.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.92 -23.86 62.34 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 118.266 -2.771 . . . . 0.0 113.699 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -53.35 14.55 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.481 1.112 . . . . 0.0 113.276 175.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -39.15 -58.8 1.1 Allowed 'General case' 0 C--N 1.349 0.557 0 C-N-CA 126.66 1.984 . . . . 0.0 115.762 159.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.69 -47.81 84.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 C-N-CA 124.406 1.082 . . . . 0.0 111.91 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 29.1 m -49.61 -43.92 46.83 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 167.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -67.34 -42.86 82.85 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 119.886 -1.759 . . . . 0.0 110.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -52.21 -53.43 43.55 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.956 1.302 . . . . 0.0 110.678 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -57.59 -43.52 84.68 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 120.857 1.662 . . . . 0.0 111.088 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -58.48 -47.93 86.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 120.616 -1.303 . . . . 0.0 114.024 172.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -72.6 -22.37 60.98 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-N 123.742 2.974 . . . . 0.0 110.488 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -68.43 -40.01 81.32 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 119.998 -1.689 . . . . 0.0 114.162 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 98.6 mt -58.88 -50.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.649 -1.282 . . . . 0.0 113.529 165.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.81 -48.8 72.32 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.523 1.929 . . . . 0.0 112.399 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.35 17.68 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.077 1.751 . . . . 0.0 114.391 167.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -73.02 -34.12 66.15 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.826 -1.171 . . . . 0.0 111.943 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.47 78.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.622 1.169 . . . . 0.0 111.636 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.14 -6.31 41.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -92.91 -33.66 14.11 Favored 'General case' 0 C--N 1.345 0.37 0 O-C-N 120.103 -1.623 . . . . 0.0 109.719 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.14 -24.61 62.3 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.759 -1.838 . . . . 0.0 112.284 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.84 125.37 23.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.634 -1.292 . . . . 0.0 114.485 162.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -103.47 -48.23 4.04 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 120.173 -1.579 . . . . 0.0 110.408 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -86.9 103.97 5.18 Favored Pre-proline 0 N--CA 1.444 -0.753 0 CA-C-O 117.308 -1.33 . . . . 0.0 109.326 172.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 CA-C-N 124.226 2.545 . . . . 0.0 110.426 178.724 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -84.91 153.43 22.86 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 118.768 -2.458 . . . . 0.0 116.301 -154.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -52.35 58.67 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.953 -1.022 . . . . 0.0 112.619 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -69.91 -35.65 65.59 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 121.579 -0.701 . . . . 0.0 112.53 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -56.83 -43.73 81.34 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 119.952 -1.717 . . . . 0.0 111.925 170.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -65.11 -47.9 75.56 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.129 0.972 . . . . 0.0 111.987 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -53.79 -50.74 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 111.706 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -50.58 -48.83 57.53 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.3 1.44 . . . . 0.0 114.504 170.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -52.25 -61.83 2.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.761 1.624 . . . . 0.0 113.487 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.71 -49.19 14.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 126.363 1.865 . . . . 0.0 114.626 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.26 17.9 pt -64.4 -39.31 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 123.289 0.635 . . . . 0.0 112.612 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -61.58 -52.07 65.95 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.943 -1.098 . . . . 0.0 111.458 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.0 -31.12 49.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 124.721 1.208 . . . . 0.0 112.177 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.94 -25.28 48.18 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 119.867 -1.77 . . . . 0.0 114.139 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -70.37 -45.68 65.58 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 124.555 2.122 . . . . 0.0 109.281 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.5 mt -30.18 -64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 129.545 3.138 . . . . 0.0 115.141 152.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -49.78 -55.5 13.82 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.597 -1.315 . . . . 0.0 113.981 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 mm -48.62 -49.46 14.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 C-N-CA 129.505 3.122 . . . . 0.0 113.739 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HZ1' ' CD ' ' B' ' 555' ' ' GLU . 19.9 pttt -96.94 -24.42 15.84 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.883 -1.761 . . . . 0.0 115.686 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -76.44 -65.73 0.89 Allowed 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.781 -1.2 . . . . 0.0 111.734 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -102.87 -17.53 15.49 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 120.752 -1.217 . . . . 0.0 110.973 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.42 8.8 mtm180 72.81 -140.05 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 166.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.5 -9.59 59.67 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 120.208 -1.558 . . . . 0.0 112.229 -162.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -65.39 0.58 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.371 2.268 . . . . 0.0 113.035 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 pt -89.57 -28.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-O 121.785 0.803 . . . . 0.0 112.513 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -53.12 -46.13 54.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.377 0 C-N-CA 127.507 2.323 . . . . 0.0 113.275 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -42.77 -66.0 0.41 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 127.128 2.171 . . . . 0.0 113.924 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 108.39 4.47 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -163.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -40.68 -49.9 3.05 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.577 1.951 . . . . 0.0 115.924 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.61 77.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.02 -48.12 80.99 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.306 1.842 . . . . 0.0 111.569 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.61 -53.0 52.72 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.495 -1.378 . . . . 0.0 113.57 175.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -75.06 -32.66 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 120.798 -1.189 . . . . 0.0 109.021 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.2 65.63 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.12 -38.55 78.92 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.656 1.182 . . . . 0.0 110.63 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.9 -43.16 75.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.024 -1.047 . . . . 0.0 111.699 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -69.29 -34.44 74.72 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 119.61 -1.931 . . . . 0.0 114.524 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -36.74 -49.93 0.81 Allowed 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.826 2.05 . . . . 0.0 115.148 169.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.11 -2.14 10.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.344 1.457 . . . . 0.0 112.088 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.88 41.2 62.73 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 120.509 -1.37 . . . . 0.0 116.417 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -79.9 102.07 5.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.511 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.7 m -113.25 159.76 19.0 Favored 'General case' 0 C--N 1.365 1.256 0 O-C-N 119.7 -1.875 . . . . 0.0 107.543 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -146.83 134.15 20.66 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 49.76 25.37 1.5 Allowed 'General case' 0 C--N 1.357 0.907 0 C-N-CA 127.583 2.353 . . . . 0.0 114.56 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.55 -5.68 82.41 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 126.511 2.005 . . . . 0.0 114.605 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -106.5 136.5 46.16 Favored 'General case' 0 N--CA 1.441 -0.921 0 O-C-N 120.894 -1.357 . . . . 0.0 111.084 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -84.23 137.1 33.66 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.595 -1.315 . . . . 0.0 107.85 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.26 0.4 OUTLIER -79.4 92.71 5.24 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.463 -2.023 . . . . 0.0 115.554 -162.225 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -70.43 171.24 10.4 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 111.734 162.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -58.4 -28.31 65.07 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -170.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.71 -66.89 0.32 Allowed 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 112.661 161.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 m -71.95 -30.79 65.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 126.481 1.912 . . . . 0.0 113.314 -170.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.33 -49.94 74.97 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 126.094 1.758 . . . . 0.0 112.047 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -80.33 -35.16 35.98 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.143 -0.973 . . . . 0.0 110.794 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -63.21 -29.17 70.56 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 tt -74.64 -23.94 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 O-C-N 120.021 -1.674 . . . . 0.0 113.927 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.69 -41.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 127.757 2.423 . . . . 0.0 112.113 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -72.65 -53.12 12.65 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 127.152 2.181 . . . . 0.0 113.334 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -88.11 81.07 7.49 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.527 -1.983 . . . . 0.0 106.427 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.13 143.64 36.3 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.8 m -57.68 124.8 20.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 126.275 1.83 . . . . 0.0 111.651 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -46.82 -46.46 20.79 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.993 1.717 . . . . 0.0 114.976 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.69 -41.98 99.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.13 -30.73 34.47 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 120.968 -1.083 . . . . 0.0 110.841 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -59.03 -47.31 85.69 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.939 0.876 . . . . 0.0 112.139 166.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -69.2 -37.57 78.17 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 121.268 -0.895 . . . . 0.0 111.754 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.1 m -47.83 -42.88 27.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.876 1.27 . . . . 0.0 113.835 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.26 -46.38 64.53 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.744 -1.222 . . . . 0.0 111.782 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.8 mt -49.75 -51.24 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.74 1.616 . . . . 0.0 111.706 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -55.18 -61.91 2.02 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 128.168 2.587 . . . . 0.0 114.932 175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.2 -47.2 15.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.254 -0.904 . . . . 0.0 113.179 -171.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.86 71.29 2.52 Favored 'General case' 0 CA--C 1.513 -0.454 0 O-C-N 120.299 -1.5 . . . . 0.0 108.959 -176.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -45.18 -63.5 0.92 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 125.875 1.67 . . . . 0.0 114.575 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.83 -37.3 17.89 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.595 1.158 . . . . 0.0 110.697 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.88 91.56 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -73.7 -49.99 23.05 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.412 -1.64 . . . . 0.0 110.42 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -55.17 -39.2 69.26 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.535 1.134 . . . . 0.0 111.956 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.84 -61.04 4.56 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 126.552 2.025 . . . . 0.0 114.424 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.16 -46.98 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 119.505 -2.174 . . . . 0.0 112.789 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -38.34 -63.89 0.46 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 127.72 2.408 . . . . 0.0 116.273 168.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -61.14 -35.8 78.05 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 120.343 -1.473 . . . . 0.0 113.387 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -77.04 -38.29 53.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 121.194 -0.941 . . . . 0.0 111.384 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.35 -40.66 77.36 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.114 -1.616 . . . . 0.0 112.802 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.65 -30.59 64.42 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 112.128 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.4 ttp -72.82 -51.72 17.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.858 -1.151 . . . . 0.0 113.519 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -83.71 -57.07 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.368 -1.458 . . . . 0.0 113.79 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.0 p -84.21 101.64 12.02 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 120.592 -1.318 . . . . 0.0 113.2 -159.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -91.76 -166.52 1.58 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 109.687 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 pttt . . . . . 0 C--N 1.349 0.559 0 O-C-N 119.507 -1.995 . . . . 0.0 111.26 166.022 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 121.266 0.555 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.53 -42.13 74.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 125.141 1.376 . . . . 0.0 113.078 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.17 -58.64 7.33 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.807 -1.183 . . . . 0.0 114.101 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.56 -25.51 41.59 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 111.706 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.35 -2.65 8.92 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 121.193 -0.942 . . . . 0.0 115.304 160.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.293 2.1 pp -94.44 130.6 40.74 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.745 2.688 . . . . 0.0 117.323 -172.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -79.49 144.93 33.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 112.225 -2.261 . . . . 0.0 109.503 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.46 -36.56 0.58 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.761 2.024 . . . . 0.0 116.049 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -64.98 -39.97 94.26 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 122.896 1.331 . . . . 0.0 112.96 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 555' ' ' GLU . . . . . 0.485 ' CD ' ' HZ1' ' A' ' 20' ' ' LYS . 43.4 mt-10 -73.65 -43.19 60.13 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.644 2.378 . . . . 0.0 110.503 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.28 74.45 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.48 -0.762 . . . . 0.0 111.423 170.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -71.66 -48.91 44.5 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.433 -1.417 . . . . 0.0 110.469 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 21.0 m -62.04 -28.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.326 0 CA-C-N 121.583 1.992 . . . . 0.0 114.548 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.78 -55.18 32.79 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.107 1.363 . . . . 0.0 110.709 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.84 5.59 13.29 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.55 -1.344 . . . . 0.0 113.991 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 34.1 mtt -94.12 -62.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.336 -1.478 . . . . 0.0 110.066 166.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.994 1.318 . . . . 0.0 114.188 -165.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -87.1 -20.7 26.71 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.111 0.964 . . . . 0.0 109.933 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 90.14 3.24 73.15 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 120.829 -1.169 . . . . 0.0 114.751 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -94.02 123.42 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 118.365 1.082 . . . . 0.0 109.348 -172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -89.36 100.76 13.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.855 -1.153 . . . . 0.0 112.729 -169.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -92.2 109.25 20.62 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 164.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -174.89 -34.85 0.01 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -166.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 2.1 p -70.9 175.29 5.2 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.541 1.936 . . . . 0.0 113.334 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.68 132.2 51.5 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 111.576 167.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -122.42 115.84 22.96 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.156 -0.965 . . . . 0.0 109.801 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 20.4 m -111.27 146.21 37.42 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 11.9 mt -1.71 -62.52 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 162.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.47 -33.23 54.68 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.926 -1.109 . . . . 0.0 112.338 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.31 -43.71 66.57 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.274 1.43 . . . . 0.0 109.796 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.63 -47.36 49.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.414 1.486 . . . . 0.0 110.836 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -51.14 -55.16 20.17 Favored Glycine 0 C--N 1.353 1.502 0 C-N-CA 124.718 1.151 . . . . 0.0 114.803 171.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -71.58 -32.37 67.99 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 119.101 1.45 . . . . 0.0 108.47 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.91 -30.55 67.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 120.365 -1.459 . . . . 0.0 112.313 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -72.39 -56.72 4.99 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.394 -1.441 . . . . 0.0 112.652 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -24.73 -65.39 0.05 OUTLIER 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 152.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.97 -55.55 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.853 1.661 . . . . 0.0 111.579 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 38.0 m -48.34 -40.36 25.08 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 167.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.37 -50.96 41.38 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.994 -1.691 . . . . 0.0 110.439 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.947 0.899 . . . . 0.0 113.239 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -56.01 -37.42 69.13 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.645 -1.284 . . . . 0.0 112.648 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 587' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' B' ' 590' ' ' ILE . 76.0 mt -65.33 -38.54 82.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 120.666 -1.272 . . . . 0.0 110.307 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.51 -19.08 58.34 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 118.492 -2.63 . . . . 0.0 109.814 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -72.39 -40.83 66.94 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.283 -1.511 . . . . 0.0 112.04 165.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 590' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 587' ' ' ILE . 64.4 mt -56.18 -46.11 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 120.236 -1.54 . . . . 0.0 114.569 165.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -45.22 -60.45 2.11 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 128.425 2.69 . . . . 0.0 112.136 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.94 -51.72 4.32 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.33 2.252 . . . . 0.0 114.075 170.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -73.82 -28.82 61.81 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 123.549 0.74 . . . . 0.0 111.394 -174.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.94 -37.29 40.07 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.841 1.256 . . . . 0.0 111.249 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.1 1.48 11.02 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -91.42 -29.53 17.01 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.329 1.851 . . . . 0.0 110.727 163.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -74.2 -29.28 61.67 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 119.32 -2.113 . . . . 0.0 112.587 170.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.08 76.05 10.1 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-O 123.848 1.785 . . . . 0.0 111.276 170.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -74.93 -29.05 60.84 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.604 2.762 . . . . 0.0 114.064 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -74.86 147.47 84.05 Favored Pre-proline 0 C--N 1.348 0.537 0 O-C-N 120.907 -1.121 . . . . 0.0 112.164 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -70.63 84.59 0.79 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.031 1.82 . . . . 0.0 115.509 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 85.5 p -118.94 46.32 1.89 Allowed 'General case' 0 CA--C 1.518 -0.273 0 O-C-N 121.212 -0.93 . . . . 0.0 108.983 163.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -100.24 117.21 33.99 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.165 -0.959 . . . . 0.0 109.703 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 21.8 p -80.36 -58.13 3.28 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.19 -0.944 . . . . 0.0 111.306 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.3 153.08 30.0 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 121.136 -0.978 . . . . 0.0 109.055 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 606' ' ' VAL . . . . . 0.467 HG22 ' H ' ' B' ' 607' ' ' LEU . 7.7 p -149.62 173.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.614 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.467 ' H ' HG22 ' B' ' 606' ' ' VAL . 2.9 mm? -96.89 102.3 14.05 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.644 -1.91 . . . . 0.0 110.675 -171.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -78.75 -125.52 0.01 OUTLIER 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.382 1.073 . . . . 0.0 113.102 167.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 18.2 p -114.65 -62.52 1.59 Allowed 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.48 1.512 . . . . 0.0 110.877 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -64.3 -19.83 65.68 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 118.952 2.945 . . . . 0.0 118.952 -168.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 31.26 4.59 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 123.732 2.969 . . . . 0.0 109.808 -171.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.74 159.81 8.26 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 . . . . . 0 CA--C 1.551 0.992 0 O-C-N 120.216 -1.552 . . . . 0.0 110.271 -177.181 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.6 m120 . . . . . 0 N--CA 1.442 -0.836 0 CA-C-O 122.752 1.263 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -62.48 128.61 36.84 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.562 2.345 . . . . 0.0 114.019 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -74.81 -63.0 1.35 Allowed 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.519 -1.363 . . . . 0.0 110.334 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tp -71.56 -27.06 27.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 C-N-CA 124.395 1.078 . . . . 0.0 112.185 -166.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.98 -44.83 88.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.523 1.529 . . . . 0.0 111.572 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 m -63.59 -51.07 66.9 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 120.737 -1.227 . . . . 0.0 110.841 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.394 1.0 OUTLIER -56.88 -39.95 68.37 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 O-C-N 120.884 -1.135 . . . . 0.0 113.533 172.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -57.03 -38.57 73.35 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.053 1.741 . . . . 0.0 114.258 172.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.07 -54.83 38.05 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.563 -1.336 . . . . 0.0 110.325 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.0 -35.28 46.98 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 126.847 2.059 . . . . 0.0 114.617 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.2 mt -61.87 -52.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.516 . . . . 0.0 109.967 171.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 m -58.15 -53.59 56.57 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.264 1.426 . . . . 0.0 113.001 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -51.43 -52.0 22.12 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 C-N-CA 128.277 2.631 . . . . 0.0 113.713 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 -24.17 61.09 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 120.423 -1.423 . . . . 0.0 113.362 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -72.63 -48.03 42.83 Favored 'General case' 0 C--N 1.36 1.065 0 O-C-N 120.563 -1.336 . . . . 0.0 107.405 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -34.02 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 127.998 2.519 . . . . 0.0 116.006 155.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -52.51 -43.88 65.37 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.795 -1.815 . . . . 0.0 112.909 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.34 -54.51 27.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 C-N-CA 128.74 2.816 . . . . 0.0 112.602 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -77.58 -33.83 53.77 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 116.976 -3.578 . . . . 0.0 111.749 -169.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -80.61 -42.38 22.3 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 124.023 0.929 . . . . 0.0 112.185 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.8 -8.31 9.45 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.409 16.8 mtt180 67.05 -124.03 0.23 Allowed 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -99.62 5.98 45.79 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.018 -1.676 . . . . 0.0 111.277 -165.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -51.2 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 131.187 3.795 . . . . 0.0 114.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.7 mt -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 122.197 0.998 . . . . 0.0 109.92 -167.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 27' ' ' VAL . 48.9 t -41.47 -43.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.319 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -44.76 -59.83 2.32 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.522 1.529 . . . . 0.0 112.954 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -70.94 119.02 14.46 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.869 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.12 -35.18 76.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.47 -1.394 . . . . 0.0 114.346 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.94 64.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.755 -1.216 . . . . 0.0 112.818 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.5 -34.51 71.0 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.109 1.364 . . . . 0.0 114.145 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.9 -70.18 0.19 Allowed 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.215 -1.553 . . . . 0.0 113.754 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.4 mm -22.52 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 128.453 2.701 . . . . 0.0 115.269 149.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.49 63.79 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 119.864 -1.773 . . . . 0.0 115.682 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -44.61 76.21 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.99 1.316 . . . . 0.0 111.286 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.69 -47.46 86.16 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 122.565 1.174 . . . . 0.0 110.468 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.94 -51.21 65.45 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 120.612 -1.305 . . . . 0.0 113.555 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.7 -57.28 3.28 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 167.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 pt -83.48 -11.38 11.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 119.666 -1.896 . . . . 0.0 111.67 -171.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.05 55.15 1.41 Allowed Glycine 0 CA--C 1.49 -1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 113.002 163.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.94 109.68 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 121.723 -0.869 . . . . 0.0 109.034 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -107.22 145.12 33.04 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 120.292 -1.505 . . . . 0.0 112.142 -167.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -151.03 132.29 14.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 164.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 56.55 19.98 4.57 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.2 -2.59 71.67 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.34 -1.475 . . . . 0.0 114.081 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -103.48 154.76 19.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.306 -1.703 . . . . 0.0 108.588 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -90.74 133.46 35.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 163.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.387 1.0 OUTLIER -72.72 102.31 3.31 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 124.738 2.209 . . . . 0.0 116.563 -166.544 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -69.04 177.86 2.49 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.597 1.959 . . . . 0.0 113.412 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -58.32 -36.98 74.19 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.64 -58.42 6.35 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.677 1.591 . . . . 0.0 113.331 166.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.0 t -65.19 -32.49 74.19 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.528 1.531 . . . . 0.0 113.481 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -63.44 -57.46 10.2 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 125.757 1.623 . . . . 0.0 111.755 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -76.07 -11.16 59.89 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 119.591 -1.943 . . . . 0.0 112.461 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -62.5 -48.04 81.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.745 -1.222 . . . . 0.0 113.736 165.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.6 pt -67.37 -24.49 31.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 119.773 -1.829 . . . . 0.0 113.214 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.77 -36.14 63.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.677 1.191 . . . . 0.0 111.458 169.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 -48.32 70.72 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 119.732 -1.855 . . . . 0.0 113.181 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.93 -18.29 55.99 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 127.716 2.407 . . . . 0.0 117.293 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.29 150.06 20.65 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.206 -1.559 . . . . 0.0 111.02 174.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.1 p -86.72 173.87 9.2 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-O 124.414 2.054 . . . . 0.0 114.176 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -55.23 -35.62 65.14 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.257 -2.152 . . . . 0.0 115.785 161.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -70.33 -52.35 23.36 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 120.411 -1.431 . . . . 0.0 113.51 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.308 1.0 OUTLIER -38.54 -58.1 1.08 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 124.446 2.069 . . . . 0.0 115.25 165.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -58.99 -42.07 89.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.583 2.353 . . . . 0.0 114.157 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -72.59 -40.58 66.46 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 124.428 1.091 . . . . 0.0 109.917 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.4 m -52.12 -45.15 64.83 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.939 2.096 . . . . 0.0 112.35 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -58.96 5.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.08 2.152 . . . . 0.0 112.827 171.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -48.52 -46.63 14.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 C-N-CA 124.75 1.22 . . . . 0.0 112.662 172.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -36.36 82.98 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.45 -1.406 . . . . 0.0 114.26 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -80.03 -56.23 4.39 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.034 1.334 . . . . 0.0 111.669 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -104.7 78.7 1.47 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.045 2.138 . . . . 0.0 109.087 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -60.27 -64.94 0.78 Allowed 'General case' 0 C--N 1.351 0.63 0 C-N-CA 125.53 1.532 . . . . 0.0 113.026 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.87 -41.64 59.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.089 0.956 . . . . 0.0 110.188 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.97 -58.86 12.06 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 126.596 2.046 . . . . 0.0 116.525 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -82.49 -44.84 15.47 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.751 -1.44 . . . . 0.0 111.471 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.82 -32.54 73.75 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.237 0.926 . . . . 0.0 111.757 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.27 -50.38 40.64 Favored Glycine 0 C--N 1.35 1.346 0 C-N-CA 124.712 1.148 . . . . 0.0 115.275 164.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.56 -49.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.608 2.204 . . . . 0.0 111.315 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -28.48 -54.72 0.11 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.484 2.314 . . . . 0.0 116.815 156.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -57.85 -28.87 64.51 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.41 -38.51 13.25 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.69 -1.256 . . . . 0.0 110.791 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -35.58 77.01 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 127.265 2.226 . . . . 0.0 114.519 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.14 -12.57 46.65 Favored 'General case' 0 C--N 1.346 0.413 0 O-C-N 120.179 -1.575 . . . . 0.0 112.705 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.5 ttm -92.02 -51.89 4.98 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.518 1.527 . . . . 0.0 112.421 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.62 -3.51 58.53 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.655 -1.278 . . . . 0.0 113.608 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.5 t -77.69 122.43 25.33 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 123.145 1.45 . . . . 0.0 113.316 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -92.17 148.79 21.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.691 -1.255 . . . . 0.0 110.542 173.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt . . . . . 0 C--N 1.358 0.948 0 O-C-N 119.547 -1.97 . . . . 0.0 110.635 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.224 -0.262 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.98 -47.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.319 1.448 . . . . 0.0 112.138 168.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.9 -54.15 43.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 113.157 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -75.44 -23.71 56.97 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 120.011 -1.681 . . . . 0.0 109.74 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 79.76 66.98 1.62 Allowed Glycine 0 CA--C 1.48 -2.137 0 C-N-CA 126.336 1.922 . . . . 0.0 111.213 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.4 pp -136.49 140.18 42.85 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 101.997 -3.334 . . . . 0.0 101.997 173.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 76.5 p -81.34 168.36 18.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.519 1.152 . . . . 0.0 111.434 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.84 -19.93 61.9 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.254 -2.154 . . . . 0.0 110.891 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -73.02 -28.27 62.25 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 123.103 1.43 . . . . 0.0 111.1 176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.04 -44.19 73.15 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.071 1.348 . . . . 0.0 110.306 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.54 77.84 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.57 -1.331 . . . . 0.0 114.123 168.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -56.05 -58.33 8.38 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 122.214 1.007 . . . . 0.0 112.512 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.1 p -70.39 -23.75 24.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.144 -1.597 . . . . 0.0 115.257 -170.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.42 -42.39 87.81 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.813 -1.179 . . . . 0.0 111.474 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -55.77 -61.88 2.06 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 120.885 -1.134 . . . . 0.0 113.179 156.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -56.58 -66.62 0.41 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -89.19 -35.15 16.38 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.91 -1.118 . . . . 0.0 113.467 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -88.95 -21.32 23.61 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.833 -1.167 . . . . 0.0 111.158 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.21 46.9 9.65 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.386 -2.071 . . . . 0.0 114.686 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 2.7 mt -116.3 122.81 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -96.75 111.69 23.75 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -153.61 38.2 0.47 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 -166.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.18 73.78 1.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -169.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.6 t -140.19 -155.02 0.55 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 120.236 -1.54 . . . . 0.0 111.405 -150.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.2 129.18 37.33 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.412 1.485 . . . . 0.0 110.77 165.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.12 123.3 40.52 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 120.623 -1.298 . . . . 0.0 108.733 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 58.3 m -117.97 152.67 35.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -27.4 -58.14 0.1 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 128.246 2.618 . . . . 0.0 117.882 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -69.94 -38.62 76.21 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 120.299 -1.5 . . . . 0.0 111.274 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.54 -44.17 83.14 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.487 1.515 . . . . 0.0 112.056 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 16.9 t -51.07 -53.93 12.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 126.138 1.775 . . . . 0.0 111.332 171.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -63.75 -47.86 82.43 Favored Glycine 0 C--N 1.348 1.219 0 C-N-CA 124.715 1.15 . . . . 0.0 112.744 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -66.44 -39.24 88.79 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 123.306 1.527 . . . . 0.0 108.853 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.87 -27.26 69.22 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 127.163 2.185 . . . . 0.0 112.092 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.39 -61.99 1.59 Allowed 'General case' 0 C--N 1.349 0.576 0 C-N-CA 125.395 1.478 . . . . 0.0 111.324 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.02 -48.08 52.85 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 130.212 3.405 . . . . 0.0 117.35 163.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 70.3 t -48.88 -66.25 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.159 0.983 . . . . 0.0 112.196 162.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -9.91 57.78 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 -176.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -66.68 -48.59 68.85 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.674 -1.891 . . . . 0.0 107.737 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.3 -26.13 62.65 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.306 -1.315 . . . . 0.0 113.287 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -67.08 -33.04 74.64 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 118.929 -2.357 . . . . 0.0 112.122 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.95 -45.93 86.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 119.914 -1.741 . . . . 0.0 111.934 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -58.19 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 154.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -48.82 -51.38 29.78 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.99 -47.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 125.427 1.491 . . . . 0.0 112.786 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.83 -51.82 67.69 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.514 1.926 . . . . 0.0 111.484 -172.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -50.15 -45.2 52.97 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.911 1.685 . . . . 0.0 113.465 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -70.96 -47.87 56.52 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.445 1.098 . . . . 0.0 112.591 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.95 -39.88 66.31 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.732 1.613 . . . . 0.0 112.83 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 57.3 mt -75.45 -11.42 60.03 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.885 -1.134 . . . . 0.0 113.338 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -74.07 -26.36 60.34 Favored 'General case' 0 C--N 1.377 1.771 0 CA-C-N 122.754 2.525 . . . . 0.0 106.873 -169.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -24.57 56.31 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 131.05 3.74 . . . . 0.0 112.041 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 18.4 tp -74.45 137.89 42.9 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 163.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -131.28 -36.15 1.31 Allowed 'General case' 0 CA--C 1.503 -0.856 0 O-C-N 120.703 -1.248 . . . . 0.0 111.152 -162.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -78.24 152.9 79.35 Favored Pre-proline 0 C--N 1.349 0.569 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 163.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -71.97 162.29 42.32 Favored 'Trans proline' 0 C--N 1.324 -0.73 0 CA-C-N 122.864 2.059 . . . . 0.0 112.287 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.2 m -135.0 -72.1 0.48 Allowed 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 167.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -82.81 102.78 11.82 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 39.9 m -79.26 -48.44 14.14 Favored 'General case' 0 CA--C 1.51 -0.585 0 O-C-N 120.857 -1.152 . . . . 0.0 112.077 -171.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -79.5 166.74 21.64 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.916 1.286 . . . . 0.0 112.233 -171.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 60.8 t -82.14 131.17 34.44 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 O-C-N 120.626 -1.296 . . . . 0.0 110.368 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.2 49.53 1.42 Allowed 'General case' 0 C--N 1.349 0.558 0 O-C-N 119.148 -2.22 . . . . 0.0 111.585 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -97.05 -28.19 14.26 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 124.289 1.036 . . . . 0.0 111.618 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 14.3 p -100.31 -64.3 1.05 Allowed 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -155.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.67 -72.28 0.05 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.87 1.668 . . . . 0.0 114.612 -176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 611' ' ' LEU . . . . . 0.495 HD13 ' H ' ' B' ' 611' ' ' LEU 0.269 0.0 OUTLIER -35.84 -37.41 0.1 Allowed 'General case' 0 CA--C 1.541 0.622 1 N-CA-C 122.195 4.146 . . . . 0.0 122.195 168.745 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -115.62 93.24 4.19 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.207 -1.558 . . . . 0.0 109.4 -159.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 N--CA 1.442 -0.825 0 O-C-N 121.046 -1.034 . . . . 0.0 108.973 -179.843 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.29 28.0 m120 . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 117.472 -1.252 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 161.23 15.99 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 124.36 3.254 . . . . 0.0 114.333 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -57.9 -44.46 86.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.591 2.356 . . . . 0.0 115.854 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.02 -30.34 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 125.485 1.514 . . . . 0.0 114.511 -169.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.25 -57.18 2.64 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.063 2.145 . . . . 0.0 114.212 168.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.6 m -79.58 -33.62 41.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.32 1.448 . . . . 0.0 110.002 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -54.13 -57.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 C-N-CA 124.581 1.152 . . . . 0.0 112.343 168.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -44.34 -48.97 9.7 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.055 1.742 . . . . 0.0 113.083 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -56.05 26.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 125.249 1.419 . . . . 0.0 113.796 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.23 -47.94 32.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.506 1.922 . . . . 0.0 113.752 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -59.25 -44.49 92.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 124.875 1.27 . . . . 0.0 111.794 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 m -59.63 -52.32 66.03 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.532 -1.355 . . . . 0.0 112.346 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.3 -30.93 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.608 1.163 . . . . 0.0 110.456 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.12 96.35 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 117.612 -3.18 . . . . 0.0 115.753 162.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -77.09 -42.22 39.03 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 121.655 2.025 . . . . 0.0 109.401 -164.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.0 mt -33.41 -62.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.927 0 C-N-CA 129.433 3.093 . . . . 0.0 114.248 158.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -56.16 -43.39 78.3 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-O 122.466 1.127 . . . . 0.0 113.746 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.32 -55.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 124.589 1.156 . . . . 0.0 112.413 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -71.72 -49.89 35.17 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 118.548 -2.595 . . . . 0.0 110.735 -171.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -72.08 -43.11 65.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.602 1.161 . . . . 0.0 113.139 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 p -116.02 -13.54 11.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.391 0.1 OUTLIER 61.18 -116.89 0.69 Allowed 'General case' 0 C--O 1.222 -0.355 0 O-C-N 119.819 -1.801 . . . . 0.0 112.495 -172.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -106.91 0.09 23.59 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.007 -1.683 . . . . 0.0 113.132 -163.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.07 -55.02 40.1 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 125.344 1.458 . . . . 0.0 113.93 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' A' ' 36' ' ' PHE . 4.8 mp -89.14 -46.31 15.36 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.767 -1.208 . . . . 0.0 110.434 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 27' ' ' VAL . 5.6 t -35.96 -47.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 C-N-CA 129.487 3.115 . . . . 0.0 117.142 174.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.19 -33.86 74.14 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 123.776 1.751 . . . . 0.0 113.715 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -85.05 82.94 8.22 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -171.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -58.77 -29.74 67.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -159.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -34.61 78.42 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.595 -1.94 . . . . 0.0 114.458 170.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -33.16 74.24 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -61.14 -62.62 1.71 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.141 1.376 . . . . 0.0 113.901 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -22.61 -62.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 129.363 3.065 . . . . 0.0 112.269 144.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -40.33 75.58 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 118.322 -2.736 . . . . 0.0 116.289 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -67.09 -42.64 84.3 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.231 1.413 . . . . 0.0 113.112 178.719 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.35 -42.83 99.33 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 119.875 -1.766 . . . . 0.0 112.498 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -76.65 -30.83 56.99 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.738 -1.226 . . . . 0.0 111.752 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -41.76 -60.19 1.44 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 128.006 2.522 . . . . 0.0 115.464 165.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.2 pt -89.19 6.77 3.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.158 0.98 . . . . 0.0 111.298 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.95 49.94 6.16 Favored Glycine 0 C--N 1.346 1.089 0 C-N-CA 125.77 1.653 . . . . 0.0 114.798 158.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -96.35 135.07 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -144.49 179.02 7.54 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -150.91 128.2 11.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.77 17.82 4.43 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.53 -8.4 74.57 Favored Glycine 0 C--N 1.356 1.663 0 O-C-N 120.216 -1.552 . . . . 0.0 113.014 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -102.55 143.04 32.76 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 120.855 -1.379 . . . . 0.0 108.55 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -74.68 145.15 43.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 120.468 -1.395 . . . . 0.0 110.954 169.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.73 74.17 9.19 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.086 -1.634 . . . . 0.0 112.625 -176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -75.02 -171.11 1.26 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.454 -1.404 . . . . 0.0 109.42 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -49.34 -43.05 43.44 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.992 -1.692 . . . . 0.0 114.669 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -58.97 -67.99 0.31 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-O 122.778 1.275 . . . . 0.0 113.896 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 p -76.65 -23.18 53.3 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 126.663 1.985 . . . . 0.0 112.962 -165.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.03 -48.53 81.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.323 1.049 . . . . 0.0 110.949 164.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -75.09 -28.78 60.42 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 120.34 -1.475 . . . . 0.0 111.482 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.82 -25.75 66.6 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.149 -1.594 . . . . 0.0 114.755 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 tt -81.02 -35.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 O-C-N 119.985 -1.697 . . . . 0.0 113.637 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -86.22 -34.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 127.325 2.25 . . . . 0.0 115.081 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -70.97 -58.49 3.53 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.263 1.825 . . . . 0.0 112.106 164.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.43 66.71 6.47 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.322 -2.111 . . . . 0.0 108.28 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.1 tp -122.35 147.77 45.87 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.59 3.556 . . . . 0.0 103.956 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -71.41 -174.78 1.12 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.647 -1.283 . . . . 0.0 113.039 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -83.44 -54.79 4.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.055 -1.653 . . . . 0.0 109.807 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -55.54 -46.88 77.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.978 1.711 . . . . 0.0 115.099 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.83 -28.65 24.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.986 -171.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.07 98.94 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.474 1.488 . . . . 0.0 111.074 165.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -68.34 -44.7 74.73 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 124.91 1.284 . . . . 0.0 110.937 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.4 m -50.01 -43.64 50.71 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.311 2.245 . . . . 0.0 113.751 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.66 -47.37 69.72 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.463 1.505 . . . . 0.0 111.009 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -53.52 -53.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 C-N-CA 123.842 0.857 . . . . 0.0 112.471 169.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -51.87 -33.05 34.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.123 1.769 . . . . 0.0 115.036 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -81.57 -53.67 6.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.052 1.341 . . . . 0.0 112.435 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.6 68.87 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.157 1.783 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -60.27 -54.79 41.57 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 124.95 1.3 . . . . 0.0 112.548 -170.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.2 -40.18 6.19 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 119.416 -2.053 . . . . 0.0 114.461 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.02 -54.08 21.03 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 119.628 1.714 . . . . 0.0 110.47 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -57.6 -40.07 78.24 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.185 1.794 . . . . 0.0 111.752 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.96 -56.34 12.97 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 125.742 1.639 . . . . 0.0 115.476 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.04 -39.67 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.227 2.014 . . . . 0.0 112.46 -168.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -43.83 71.5 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.403 -1.436 . . . . 0.0 110.145 -170.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -62.0 -46.74 87.89 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.446 0.1 OUTLIER -74.49 -17.97 60.68 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.314 -1.491 . . . . 0.0 113.982 -179.328 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.6 tp -71.3 -54.16 11.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.458 -0.776 . . . . 0.0 112.22 162.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -64.54 -32.93 74.78 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -16.37 62.68 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.252 -1.53 . . . . 0.0 113.495 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -72.51 -35.3 68.08 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.848 0.859 . . . . 0.0 113.074 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 p -93.53 135.54 34.69 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.057 1.408 . . . . 0.0 113.523 -166.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -115.67 153.97 30.35 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.703 -1.248 . . . . 0.0 111.972 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--N 1.36 1.037 0 O-C-N 119.839 -1.788 . . . . 0.0 111.112 177.623 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.446 -0.654 0 CA-C-O 121.001 0.429 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.65 -45.34 98.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.948 -1.095 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.37 -56.84 16.95 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.18 -26.13 42.71 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 119.763 1.165 . . . . 0.0 112.945 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 112.58 -33.23 5.76 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.076 -1.64 . . . . 0.0 111.668 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.34 115.72 18.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.971 0.891 . . . . 0.0 111.52 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 170.54 8.51 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 126.078 1.751 . . . . 0.0 114.539 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.98 -44.9 1.13 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 170.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -70.52 -38.39 74.25 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.275 1.512 . . . . 0.0 111.168 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.87 -52.56 59.46 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 129.047 2.939 . . . . 0.0 111.511 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.4 74.43 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.415 0.686 . . . . 0.0 112.808 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -70.07 -42.97 72.1 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.744 -1.223 . . . . 0.0 111.377 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.28 -29.69 48.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 119.902 -1.749 . . . . 0.0 113.075 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.0 -40.42 76.55 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.931 1.292 . . . . 0.0 112.252 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.5 mtm-85 -79.34 -37.64 37.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.58 1.152 . . . . 0.0 112.484 167.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 91.1 mtp -71.56 -59.44 2.76 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 117.388 -3.32 . . . . 0.0 114.683 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -92.78 -55.22 3.45 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.667 -1.271 . . . . 0.0 112.279 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -70.12 -23.14 62.98 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 112.493 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 73.8 42.81 37.36 Favored Glycine 0 C--N 1.349 1.269 0 C-N-CA 125.506 1.527 . . . . 0.0 116.136 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 48.9 mt -112.83 123.4 68.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 119.502 1.651 . . . . 0.0 107.568 171.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -89.92 97.7 11.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.339 -1.476 . . . . 0.0 112.531 -165.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.5 mtm -111.32 53.26 0.72 Allowed 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.386 -1.446 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -116.2 -24.08 8.15 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.445 -1.41 . . . . 0.0 111.172 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 10.5 p -74.97 -170.57 1.13 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.013 2.125 . . . . 0.0 113.36 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.23 125.82 27.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 119.526 -1.984 . . . . 0.0 113.332 168.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -122.01 139.86 53.17 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.662 1.185 . . . . 0.0 108.137 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 572' ' ' THR . . . . . 0.446 ' H ' ' HG3' ' B' ' 575' ' ' GLU . 55.3 p -97.11 173.37 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 165.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 59.5 mt -71.81 -20.27 61.87 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.428 -1.42 . . . . 0.0 111.198 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -70.45 -43.77 69.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.243 -0.911 . . . . 0.0 111.865 167.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 575' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' B' ' 572' ' ' THR . 33.3 mm-40 -59.59 -44.96 93.19 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 120.542 -1.349 . . . . 0.0 112.589 177.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 26.3 t -58.6 -48.33 85.98 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.89 1.276 . . . . 0.0 112.2 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.67 -43.33 99.41 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 124.951 1.263 . . . . 0.0 113.237 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -70.25 -27.01 64.11 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.148 -1.207 . . . . 0.0 109.712 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -21.69 63.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -74.22 -52.92 10.94 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.237 1.38 . . . . 0.0 110.493 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -34.61 -66.84 0.16 Allowed 'General case' 0 C--N 1.345 0.375 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 149.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 82.8 t -51.52 -56.46 5.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 119.634 1.107 . . . . 0.0 112.268 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 8.6 m -40.2 -54.27 2.36 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 163.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -68.5 -42.01 79.23 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.514 -1.991 . . . . 0.0 112.341 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -59.57 -46.84 87.74 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.546 1.938 . . . . 0.0 111.611 172.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -59.54 -43.57 93.47 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.492 -1.38 . . . . 0.0 112.259 172.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.98 -37.47 77.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 C-N-CA 125.041 1.336 . . . . 0.0 112.14 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -20.51 61.12 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 121.692 2.042 . . . . 0.0 109.146 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -78.06 -32.96 51.08 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.15 -2.218 . . . . 0.0 112.642 168.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 69.1 mt -55.91 -46.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 119.546 -1.971 . . . . 0.0 113.529 163.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -54.76 -54.63 39.55 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.411 2.684 . . . . 0.0 111.541 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.11 -55.83 6.47 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.618 1.567 . . . . 0.0 114.495 168.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -66.26 -45.11 81.69 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.943 -1.098 . . . . 0.0 112.692 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.07 73.92 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 73.0 mt -75.48 0.83 15.8 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 171.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -99.08 -34.32 10.44 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.07 -1.644 . . . . 0.0 108.983 165.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -68.04 -38.82 82.95 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 119.671 -1.893 . . . . 0.0 114.275 170.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 598' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' B' ' 599' ' ' ARG . 12.8 tp -76.95 166.46 23.3 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.727 -1.233 . . . . 0.0 109.805 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 599' ' ' ARG . . . . . 0.428 ' H ' ' HG ' ' B' ' 598' ' ' LEU . 3.7 tpt180 -156.52 -39.63 0.08 Allowed 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.531 -1.356 . . . . 0.0 109.483 -160.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.92 150.55 97.73 Favored Pre-proline 0 C--N 1.351 0.645 0 C-N-CA 124.301 1.04 . . . . 0.0 111.493 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.2 166.03 30.54 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.78 1.653 . . . . 0.0 112.562 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 66.9 m -100.07 -59.93 1.62 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 122.423 1.106 . . . . 0.0 108.423 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 41.4 mtp85 -112.55 136.97 51.45 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 126.481 1.913 . . . . 0.0 108.251 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 66.1 m -80.77 -45.68 16.63 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 119.975 -1.703 . . . . 0.0 110.626 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.24 -17.81 64.4 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 117.497 2.406 . . . . 0.0 117.497 -168.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 91.6 t -74.44 118.98 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 O-C-N 120.963 -1.085 . . . . 0.0 110.716 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 21.2 mt -106.29 123.56 48.23 Favored 'General case' 0 C--N 1.365 1.252 0 O-C-N 120.206 -1.559 . . . . 0.0 107.961 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -103.26 -24.62 13.52 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.274 -1.516 . . . . 0.0 112.445 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 14.7 t -49.16 -70.22 0.09 Allowed 'General case' 0 C--N 1.35 0.628 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 -164.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -92.87 22.04 5.18 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.214 -1.554 . . . . 0.0 112.532 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 3.2 mp -115.89 67.21 0.71 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 128.685 2.794 . . . . 0.0 109.618 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -70.78 99.54 1.74 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.666 1.586 . . . . 0.0 113.967 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 CA--C 1.551 1.018 0 O-C-N 119.412 -2.055 . . . . 0.0 111.315 176.074 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -133.15 171.57 13.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.7 -34.56 71.44 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.627 1.171 . . . . 0.0 112.695 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 mm -65.89 -27.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 121.326 -0.859 . . . . 0.0 113.026 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.9 -41.53 95.52 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.199 -1.563 . . . . 0.0 111.672 171.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -63.78 -43.05 97.5 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.145 -1.597 . . . . 0.0 111.946 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.33 -52.19 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.957 0.903 . . . . 0.0 112.59 173.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -50.33 -45.37 54.84 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 126.988 2.115 . . . . 0.0 113.78 168.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -57.48 -55.94 28.26 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.604 1.562 . . . . 0.0 113.062 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -45.89 -49.51 4.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 127.484 2.314 . . . . 0.0 113.946 168.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.58 -48.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-O 122.45 1.119 . . . . 0.0 110.04 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -63.73 -50.69 68.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.742 0.817 . . . . 0.0 113.1 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.64 -26.43 16.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.171 -1.581 . . . . 0.0 112.312 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.17 -17.18 59.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.979 -1.075 . . . . 0.0 113.183 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 m -73.8 -48.16 33.49 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.826 -1.796 . . . . 0.0 107.514 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.9 mt -32.71 -49.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 130.954 3.701 . . . . 0.0 115.752 154.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 -53.16 59.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.376 -2.077 . . . . 0.0 113.353 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 mt -81.12 -56.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 125.981 1.712 . . . . 0.0 115.122 -170.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -68.5 -46.95 68.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.348 2.499 . . . . 0.0 111.362 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -90.69 -48.61 6.95 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 130.32 3.448 . . . . 0.0 112.181 -163.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -105.15 -12.95 15.88 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 121.975 2.171 . . . . 0.0 116.09 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 82.3 165.43 0.13 Allowed 'General case' 0 C--N 1.343 0.324 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 163.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -38.35 -23.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.823 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -42.15 96.57 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 121.027 1.74 . . . . 0.0 115.147 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.4 pt -82.75 -36.14 13.02 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 O-C-N 120.085 -1.635 . . . . 0.0 111.315 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 14.1 t -46.95 -49.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.359 1.017 0 C-N-CA 126.951 2.101 . . . . 0.0 113.499 167.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -42.53 -43.8 3.87 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 128.051 2.541 . . . . 0.0 114.673 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -95.49 103.14 15.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -60.19 -38.9 84.69 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.276 -1.515 . . . . 0.0 113.207 -169.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -59.82 4.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.18 -47.8 71.64 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.315 2.246 . . . . 0.0 113.413 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 27' ' ' VAL . 45.7 t80 -60.79 -53.28 59.31 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.718 1.607 . . . . 0.0 112.51 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.47 -36.42 48.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.051 0 O-C-N 119.475 -2.016 . . . . 0.0 109.07 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -16.59 6.03 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -29.52 68.25 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.845 0.858 . . . . 0.0 111.322 173.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.75 -49.7 20.04 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.005 -1.684 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -49.93 -61.83 1.91 Allowed 'General case' 0 C--N 1.357 0.899 0 C-N-CA 127.553 2.341 . . . . 0.0 113.043 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -29.24 -52.18 0.11 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.496 2.718 . . . . 0.0 117.049 168.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.9 pt -95.86 -8.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 O-C-N 121.09 -1.006 . . . . 0.0 112.526 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.62 42.5 5.43 Favored Glycine 0 C--N 1.347 1.184 0 O-C-N 120.858 -1.151 . . . . 0.0 115.313 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.7 t -86.45 111.21 21.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 118.836 1.318 . . . . 0.0 107.583 168.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -118.54 167.3 11.74 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.763 -1.211 . . . . 0.0 111.132 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -135.67 132.72 37.34 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.2 31.52 0.56 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.08 1.88 72.08 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 126.274 1.892 . . . . 0.0 114.498 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -107.29 138.51 43.35 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 120.913 -1.345 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -74.51 132.26 41.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.675 -1.265 . . . . 0.0 108.868 166.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 92.03 9.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.716 -1.865 . . . . 0.0 114.015 -170.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -74.87 173.37 10.7 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.997 1.319 . . . . 0.0 110.937 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -30.18 -63.13 0.14 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -48.45 -61.94 1.75 Allowed 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.21 2.204 . . . . 0.0 114.546 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.7 t -63.76 -40.03 95.71 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 126.979 2.112 . . . . 0.0 113.308 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.24 -57.34 13.47 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.78 2.032 . . . . 0.0 113.521 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -70.78 -26.42 63.33 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.996 -1.69 . . . . 0.0 113.999 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -65.08 -42.77 93.78 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 119.671 -1.893 . . . . 0.0 113.537 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.271 11.4 tt -60.13 -53.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 O-C-N 120.81 -1.181 . . . . 0.0 112.183 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.03 -30.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 CA-C-N 120.807 1.64 . . . . 0.0 111.169 -167.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.6 t -86.12 -17.26 35.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.937 -1.727 . . . . 0.0 114.521 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -95.16 17.2 14.61 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 123.586 2.903 . . . . 0.0 112.894 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.36 155.56 38.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 120.014 -1.679 . . . . 0.0 113.054 167.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.56 156.51 20.72 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 126.094 1.758 . . . . 0.0 110.482 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -66.85 -42.56 85.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.92 -52.5 56.09 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 125.342 1.457 . . . . 0.0 114.077 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.326 8.5 m-20 -45.92 -50.35 14.67 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 129.345 3.058 . . . . 0.0 116.456 160.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -56.43 -41.57 76.61 Favored 'General case' 0 C--N 1.373 1.627 0 O-C-N 120.196 -1.565 . . . . 0.0 112.867 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.9 tptt -72.75 -22.07 60.91 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 121.059 -1.025 . . . . 0.0 111.636 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -55.73 -46.48 77.76 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.179 -1.576 . . . . 0.0 111.442 164.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.07 -46.36 62.07 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.54 -1.35 . . . . 0.0 113.324 173.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 67' ' ' LYS . 77.0 mt -55.12 -45.63 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.168 0.987 . . . . 0.0 112.877 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.55 -62.62 1.51 Allowed 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.501 -1.374 . . . . 0.0 113.358 170.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.08 -48.6 57.06 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.96 73.36 1.52 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.858 1.263 . . . . 0.0 109.323 -175.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -48.07 71.36 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.329 -1.482 . . . . 0.0 111.54 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.9 -35.46 78.53 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.432 -0.792 . . . . 0.0 111.378 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -62.41 5.44 Favored Glycine 0 C--N 1.345 1.052 0 C-N-CA 124.074 0.845 . . . . 0.0 113.934 172.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -75.9 -49.57 17.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.305 -1.703 . . . . 0.0 114.215 -170.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -71.75 -33.13 68.42 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 121.073 -1.017 . . . . 0.0 110.588 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.38 -40.92 92.8 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-O 119.426 -0.652 . . . . 0.0 113.76 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.77 -61.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 119.91 1.855 . . . . 0.0 112.745 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.278 7.5 p90 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 -166.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -68.06 -35.42 78.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.663 -1.273 . . . . 0.0 112.787 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -70.85 -51.66 25.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.488 1.115 . . . . 0.0 110.588 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 mt -47.62 -55.01 10.27 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 125.634 1.574 . . . . 0.0 113.747 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.98 -3.03 56.74 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -34.74 11.52 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.727 -1.233 . . . . 0.0 111.935 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -35.93 11.5 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.472 -1.393 . . . . 0.0 114.026 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 m -101.22 120.07 39.69 Favored 'General case' 0 CA--C 1.503 -0.844 0 O-C-N 120.409 -1.432 . . . . 0.0 107.878 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -91.38 162.83 14.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.741 0.782 . . . . 0.0 110.772 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm . . . . . 0 C--N 1.35 0.618 0 O-C-N 120.552 -1.343 . . . . 0.0 111.528 -173.663 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 CA--C 1.543 0.682 0 CA-C-O 121.118 0.485 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 49.5 t -48.7 -46.43 15.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 C-N-CA 127.024 2.129 . . . . 0.0 114.21 168.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.2 -40.86 71.26 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -84.19 -31.57 25.04 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.253 -1.53 . . . . 0.0 111.599 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 126.39 -9.34 7.37 Favored Glycine 0 CA--C 1.492 -1.353 0 O-C-N 120.849 -1.157 . . . . 0.0 112.266 165.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pp -83.3 131.45 35.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.539 1.637 . . . . 0.0 111.202 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 73.1 p -77.52 173.03 12.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 119.715 -1.866 . . . . 0.0 115.573 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.95 68.78 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.165 -1.585 . . . . 0.0 114.105 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -73.74 -17.76 61.07 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 122.604 1.192 . . . . 0.0 112.781 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.65 -39.82 43.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.564 -1.335 . . . . 0.0 110.12 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.71 72.97 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.224 1.01 . . . . 0.0 111.694 172.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -58.42 6.29 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.255 1.503 . . . . 0.0 114.569 164.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.29 -35.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 O-C-N 119.803 -1.811 . . . . 0.0 113.948 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.53 -46.93 83.75 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.884 1.274 . . . . 0.0 111.512 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.4 -29.82 64.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.127 -1.608 . . . . 0.0 112.759 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 32.5 mtp -81.09 -61.96 1.8 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-N 122.907 2.594 . . . . 0.0 114.28 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -90.2 -34.41 15.82 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.774 -1.204 . . . . 0.0 113.28 -169.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.12 -33.68 20.82 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.888 -0.508 . . . . 0.0 109.852 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 85.2 29.37 28.15 Favored Glycine 0 C--N 1.346 1.136 0 C-N-CA 124.974 1.273 . . . . 0.0 114.902 -174.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.03 120.87 64.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.744 1.772 . . . . 0.0 109.657 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.46 109.6 21.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.723 0.809 . . . . 0.0 109.58 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 4.8 ptm -122.65 50.04 1.55 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.839 1.256 . . . . 0.0 110.19 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -119.41 -36.74 3.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.962 1.305 . . . . 0.0 111.99 -152.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 m -94.3 -121.0 0.1 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.29 1.036 . . . . 0.0 109.167 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.43 107.92 19.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 122.894 2.588 . . . . 0.0 110.738 -167.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -119.93 123.31 43.25 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -85.48 179.03 7.22 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 122.496 1.141 . . . . 0.0 111.753 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 573' ' ' LEU . . . . . 0.461 ' H ' HD22 ' B' ' 573' ' ' LEU . 0.7 OUTLIER -76.08 -20.24 57.88 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.355 -1.466 . . . . 0.0 110.652 -178.686 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -69.93 -41.06 75.09 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 122.195 0.998 . . . . 0.0 109.933 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -76.47 -40.88 49.08 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.519 1.528 . . . . 0.0 114.732 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.01 -34.96 50.27 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 123.321 1.534 . . . . 0.0 111.241 163.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.14 39.4 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.158 -1.589 . . . . 0.0 112.794 169.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.48 -32.93 74.1 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 122.284 1.04 . . . . 0.0 109.736 -167.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -69.64 -25.25 63.83 Favored 'General case' 0 C--N 1.361 1.067 0 O-C-N 120.455 -1.403 . . . . 0.0 112.549 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -22.78 64.73 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 118.983 -2.323 . . . . 0.0 113.828 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -81.11 -67.76 0.75 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.415 1.486 . . . . 0.0 113.295 158.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 55.5 t -47.49 -63.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 C-N-CA 127.124 2.169 . . . . 0.0 114.642 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 5.1 m -59.68 -25.63 64.9 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -44.3 67.79 Favored 'General case' 0 C--N 1.363 1.171 0 O-C-N 118.679 -2.513 . . . . 0.0 109.949 173.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.61 -47.55 76.36 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.12 169.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -54.32 -43.97 71.65 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 120.044 -1.66 . . . . 0.0 113.529 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.39 -41.73 88.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.264 -1.522 . . . . 0.0 112.257 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -19.56 60.28 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 122.024 2.193 . . . . 0.0 108.777 -177.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.21 -36.37 69.15 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.239 -2.163 . . . . 0.0 113.338 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 63.6 mt -56.9 -48.17 81.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 126.361 1.864 . . . . 0.0 112.568 163.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.97 -55.87 27.51 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.059 2.144 . . . . 0.0 110.929 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -42.02 -47.84 4.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.561 1.944 . . . . 0.0 115.315 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -65.05 -48.33 74.19 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.757 -1.214 . . . . 0.0 112.323 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.84 -36.86 63.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.08 -13.28 60.47 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.179 -1.576 . . . . 0.0 114.022 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -92.5 -32.36 14.9 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.103 2.561 . . . . 0.0 108.059 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -71.93 -21.3 61.63 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.326 1.876 . . . . 0.0 114.254 166.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 66.8 mt -92.32 86.47 5.72 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.265 -1.522 . . . . 0.0 112.851 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -81.85 -2.54 51.41 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.383 -2.073 . . . . 0.0 115.252 172.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -83.79 115.86 61.81 Favored Pre-proline 0 C--N 1.348 0.5 0 O-C-N 119.143 -2.223 . . . . 0.0 110.28 161.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.56 109.73 2.7 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.611 2.208 . . . . 0.0 111.224 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 31.0 m -120.08 55.37 1.0 Allowed 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -85.74 121.36 28.3 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.845 1.658 . . . . 0.0 114.055 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 72.9 m -101.91 -10.67 19.62 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 124.794 1.238 . . . . 0.0 111.936 173.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.35 132.99 43.69 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 121.169 -0.957 . . . . 0.0 112.617 -161.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.56 108.39 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.423 0 O-C-N 120.353 -1.467 . . . . 0.0 108.068 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 91.4 mt -85.69 62.68 7.62 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 118.883 -2.386 . . . . 0.0 112.495 -172.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -82.17 -93.8 0.06 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.306 1.842 . . . . 0.0 113.586 171.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 52.0 m -77.44 35.51 0.18 Allowed 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.103 -1.623 . . . . 0.0 114.762 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -118.27 -2.28 11.18 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.164 -1.585 . . . . 0.0 114.22 -168.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.9 118.46 36.86 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 119.701 -1.875 . . . . 0.0 111.083 -165.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.82 -39.85 5.91 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.295 -0.878 . . . . 0.0 113.096 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 CA--C 1.549 0.939 0 O-C-N 119.827 -1.795 . . . . 0.0 109.247 179.668 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 123.374 1.559 . . . . 0.0 107.816 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -91.34 124.79 35.8 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.194 1.798 . . . . 0.0 112.818 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.22 -48.84 10.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 121.103 -0.998 . . . . 0.0 111.223 -176.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -64.02 -13.82 14.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 O-C-N 120.788 -1.195 . . . . 0.0 114.098 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -57.01 -52.09 66.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.026 -1.671 . . . . 0.0 112.45 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -70.77 -30.21 66.64 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.519 -1.363 . . . . 0.0 110.984 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.04 -46.39 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.624 0.77 . . . . 0.0 111.82 172.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -56.93 -38.23 72.59 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.438 -2.039 . . . . 0.0 113.778 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -59.89 -55.06 38.79 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 120.817 -1.177 . . . . 0.0 113.087 166.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.1 -46.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 C-N-CA 126.21 1.804 . . . . 0.0 113.535 172.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.15 -45.71 89.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 120.751 -1.218 . . . . 0.0 110.052 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -56.02 -54.3 46.5 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.824 1.249 . . . . 0.0 112.818 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.73 -26.86 18.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 O-C-N 121.213 -0.929 . . . . 0.0 112.084 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.55 61.36 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.395 -1.441 . . . . 0.0 112.529 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 t -75.38 -54.63 6.74 Favored 'General case' 0 C--N 1.362 1.15 0 CA-C-O 124.475 2.084 . . . . 0.0 105.956 -169.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.2 mt -28.95 -59.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.167 1 C-N-CA 132.81 4.444 . . . . 0.0 113.523 162.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.13 -47.89 68.31 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.519 1.152 . . . . 0.0 113.251 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.26 -49.18 56.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.776 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.94 -46.67 88.63 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.787 1.279 . . . . 0.0 111.382 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -87.52 -58.71 2.48 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 125.644 1.577 . . . . 0.0 112.528 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -107.37 2.14 24.2 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.907 -1.121 . . . . 0.0 112.772 -166.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.39 6.3 tpp180 63.62 -119.37 0.51 Allowed 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.975 1.71 . . . . 0.0 113.743 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.63 -11.17 9.47 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 121.1 1.773 . . . . 0.0 115.1 -163.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.26 -55.1 39.15 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.339 -1.476 . . . . 0.0 114.073 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -75.5 -34.38 29.55 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 O-C-N 120.691 -1.256 . . . . 0.0 113.561 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 27' ' ' VAL . 21.4 t -40.8 -45.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 128.566 2.746 . . . . 0.0 116.669 164.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -51.37 -46.73 62.86 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 123.564 1.649 . . . . 0.0 114.428 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -75.79 114.46 14.43 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 113.485 -1.689 . . . . 0.0 110.54 -163.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -77.02 -36.46 56.21 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.249 -1.532 . . . . 0.0 111.933 -160.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.96 -46.75 80.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.658 0.783 . . . . 0.0 111.755 172.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -57.13 -43.75 82.67 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.22 -51.74 68.48 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.559 -1.338 . . . . 0.0 113.46 -172.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.02 -50.75 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 1 C-N-CA 132.92 4.488 . . . . 0.0 112.394 162.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -25.27 66.09 Favored 'General case' 0 CA--C 1.543 0.711 1 O-C-N 116.099 -4.125 . . . . 0.0 116.918 175.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -31.79 72.66 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.389 1.876 . . . . 0.0 110.708 172.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.21 -46.55 67.14 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 120.591 -1.318 . . . . 0.0 110.363 174.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -61.49 -43.07 99.51 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.854 -1.779 . . . . 0.0 112.113 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.98 -49.55 2.49 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 169.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.1 pt -92.1 0.88 9.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 121.066 -1.022 . . . . 0.0 111.671 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.89 50.47 5.91 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 120.395 -1.44 . . . . 0.0 114.23 170.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -87.32 110.69 20.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.4 p -112.85 167.21 10.69 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.466 -1.396 . . . . 0.0 107.613 170.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -144.05 134.74 24.99 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 47.17 27.04 0.75 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 -0.5 89.33 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 120.622 -1.299 . . . . 0.0 115.086 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 118.892 1.346 . . . . 0.0 109.152 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -75.96 134.79 40.1 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 120.237 -1.54 . . . . 0.0 107.677 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.35 82.68 0.05 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -174.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.9 -172.63 3.24 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.933 2.093 . . . . 0.0 114.83 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -58.56 -70.91 0.13 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 -166.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -46.5 -46.94 19.41 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 126.237 1.815 . . . . 0.0 115.739 164.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -64.0 -31.95 73.33 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.092 -1.63 . . . . 0.0 115.023 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -66.58 -40.67 89.05 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.734 1.214 . . . . 0.0 110.371 169.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -71.34 -45.43 62.96 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.243 -1.536 . . . . 0.0 109.848 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -55.36 -43.04 74.71 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.943 2.097 . . . . 0.0 114.451 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.7 tt -65.63 -36.78 78.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 121.056 -1.027 . . . . 0.0 112.548 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.27 -49.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 128.209 2.604 . . . . 0.0 113.807 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.6 p -70.95 -34.42 71.46 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 119.568 -1.957 . . . . 0.0 113.875 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -94.76 25.39 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 123.183 2.72 . . . . 0.0 113.57 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.27 145.3 55.91 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-O 123.654 1.692 . . . . 0.0 113.788 164.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -81.11 148.91 29.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.818 1.247 . . . . 0.0 107.883 163.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.88 -37.43 87.36 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -172.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.9 -41.41 64.64 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 120.542 -1.348 . . . . 0.0 112.923 -173.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.8 -62.08 1.22 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 129.286 3.035 . . . . 0.0 114.305 167.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -66.4 -35.42 80.28 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -73.08 -26.74 61.37 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.091 -1.63 . . . . 0.0 110.143 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.0 m -58.71 -39.12 79.88 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 119.618 -1.927 . . . . 0.0 112.478 167.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.81 -53.63 51.27 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.625 -1.297 . . . . 0.0 112.807 166.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.84 -55.36 2.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 125.476 1.51 . . . . 0.0 112.556 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.83 -27.18 69.15 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.291 -1.506 . . . . 0.0 114.18 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -79.72 -66.47 0.87 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.996 -1.065 . . . . 0.0 110.77 170.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.07 94.77 4.32 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.857 1.313 . . . . 0.0 110.455 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.62 -52.89 63.77 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 127.224 2.209 . . . . 0.0 112.064 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.77 -32.97 74.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 125.152 1.381 . . . . 0.0 110.729 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.49 -59.95 7.87 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 125.459 1.504 . . . . 0.0 112.712 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -76.57 -45.69 29.39 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.59 -30.63 71.48 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.804 -1.81 . . . . 0.0 112.541 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.76 -59.26 11.13 Favored Glycine 0 CA--C 1.491 -1.411 0 C-N-CA 125.493 1.52 . . . . 0.0 114.029 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.54 -44.64 99.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 CA-C-N 118.394 1.097 . . . . 0.0 112.61 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -34.51 -67.11 0.15 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 127.774 2.43 . . . . 0.0 114.564 168.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.4 mtm-85 -59.84 -50.06 75.29 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.286 20.2 p90 -78.66 -27.74 45.3 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.8 -1.812 . . . . 0.0 113.776 -176.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.9 -50.41 73.88 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.83 -1.169 . . . . 0.0 112.706 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.99 -16.81 57.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.728 -1.232 . . . . 0.0 114.287 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 43.9 ttp -71.7 -56.3 6.07 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.929 -1.107 . . . . 0.0 111.901 169.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -82.13 -51.64 7.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 120.554 -1.341 . . . . 0.0 113.931 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.2 m -109.45 106.08 15.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.908 0.861 . . . . 0.0 111.329 -158.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -120.2 166.07 13.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.933 1.349 . . . . 0.0 113.524 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.358 0.969 0 C-N-CA 128.059 2.544 . . . . 0.0 111.349 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 121.144 0.497 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.08 -42.86 80.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 120.012 -1.68 . . . . 0.0 113.19 165.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.87 -55.05 37.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.617 -1.302 . . . . 0.0 113.473 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -80.13 -17.57 52.18 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 119.592 -1.943 . . . . 0.0 110.775 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 117.79 -22.25 10.04 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 112.746 161.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.06 144.96 38.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 22.2 p -82.35 158.72 23.27 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 113.157 -1.838 . . . . 0.0 112.421 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.2 -11.1 12.77 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.533 -1.98 . . . . 0.0 114.54 170.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -82.03 -25.56 34.54 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.385 -1.447 . . . . 0.0 110.444 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.26 -42.22 75.85 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.354 1.462 . . . . 0.0 111.203 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.65 -22.46 65.32 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.172 -0.955 . . . . 0.0 112.623 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.93 -63.21 1.11 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.641 1.21 . . . . 0.0 111.22 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.24 -27.54 42.93 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.72 -55.29 28.04 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 124.597 1.159 . . . . 0.0 111.381 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -56.18 -41.36 75.37 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.303 1.841 . . . . 0.0 112.804 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 28.2 mtt -73.94 -69.57 0.43 Allowed 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 119.323 -2.111 . . . . 0.0 114.331 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -97.59 -28.18 14.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.537 1.135 . . . . 0.0 113.897 -159.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.35 -26.92 21.97 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.343 1.428 . . . . 0.0 110.36 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 84.79 35.03 13.87 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 120.86 -1.15 . . . . 0.0 114.465 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 24.6 mt -109.77 112.21 39.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 169.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -96.28 91.65 5.98 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.873 1.321 . . . . 0.0 107.947 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -114.31 49.7 1.0 Allowed 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 120.886 -1.133 . . . . 0.0 109.683 -169.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -96.83 46.48 1.05 Allowed 'General case' 0 C--N 1.349 0.548 0 O-C-N 119.172 -2.205 . . . . 0.0 111.606 -161.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 5.7 t -173.0 173.61 3.67 Favored 'General case' 0 CA--C 1.507 -0.676 0 O-C-N 120.099 -1.626 . . . . 0.0 107.585 -152.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -70.3 137.41 50.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 115.284 -169.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -129.19 127.63 41.71 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.442 162.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 74.4 p -72.16 163.03 28.61 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.747 1.219 . . . . 0.0 110.956 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.0 -31.2 68.59 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 118.065 2.617 . . . . 0.0 118.065 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -69.85 -44.95 68.82 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.622 -1.299 . . . . 0.0 111.341 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.62 -41.96 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 127.376 2.27 . . . . 0.0 113.804 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.7 -46.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 C-N-CA 126.013 1.725 . . . . 0.0 111.403 166.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -64.14 -37.53 94.69 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 121.286 -0.884 . . . . 0.0 113.691 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.01 -39.73 72.22 Favored 'General case' 0 C--N 1.371 1.504 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -176.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -41.35 72.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 129.25 3.02 . . . . 0.0 111.827 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.31 -58.3 6.91 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.201 2.2 . . . . 0.0 111.96 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.05 -53.42 50.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 116.963 2.208 . . . . 0.0 116.963 165.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 74.8 t -50.45 -58.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.599 0 C-N-CA 125.56 1.544 . . . . 0.0 112.747 172.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 32.4 m -48.66 -43.51 36.78 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.312 -2.117 . . . . 0.0 115.245 166.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 56.8 ttp85 -64.89 -46.03 83.45 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 123.517 1.627 . . . . 0.0 109.607 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -60.37 -37.51 80.95 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.848 1.659 . . . . 0.0 111.53 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.55 -30.04 70.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.404 -2.06 . . . . 0.0 112.026 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 76.7 mt -70.71 -46.3 69.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 118.966 -2.334 . . . . 0.0 111.783 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 39.8 tpt85 -42.36 -46.48 4.65 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 119.158 3.022 . . . . 0.0 119.158 152.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -64.19 -41.92 96.87 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 119.328 -2.108 . . . . 0.0 114.082 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.08 -42.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.894 -1.754 . . . . 0.0 113.695 167.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.46 -55.6 29.83 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.272 2.229 . . . . 0.0 111.632 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.76 71.94 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.947 2.099 . . . . 0.0 113.855 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -66.23 -47.64 73.15 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.677 -1.264 . . . . 0.0 110.87 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.6 69.14 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 174.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.07 -13.28 60.47 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 120.18 -1.575 . . . . 0.0 112.853 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -87.38 -28.61 22.08 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.829 2.051 . . . . 0.0 109.187 170.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -69.22 -29.33 67.26 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 119.42 -2.05 . . . . 0.0 114.283 165.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.55 94.87 10.03 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 123.262 1.506 . . . . 0.0 110.446 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -83.89 -28.25 28.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 119.267 -2.146 . . . . 0.0 114.606 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -81.15 119.05 74.83 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 121.015 -1.053 . . . . 0.0 110.545 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.32 163.7 24.67 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.305 2.003 . . . . 0.0 113.954 -165.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 53.8 p -160.39 -44.85 0.05 OUTLIER 'General case' 0 C--N 1.349 0.566 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -76.45 131.7 39.2 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 121.082 -1.011 . . . . 0.0 109.224 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 57.8 m -101.88 -44.82 5.39 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.914 -1.116 . . . . 0.0 108.411 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -43.77 87.26 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.788 1 C-N-CA 132.177 4.191 . . . . 0.0 118.51 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 40.5 t -136.82 108.5 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 O-C-N 120.091 -1.631 . . . . 0.0 107.968 167.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.43 102.77 11.11 Favored 'General case' 0 C--N 1.367 1.345 0 O-C-N 120.086 -1.634 . . . . 0.0 106.705 154.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -151.17 -69.6 0.17 Allowed 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 6.3 m -35.95 -62.58 0.42 Allowed 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 130.501 3.52 . . . . 0.0 118.23 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -127.41 -83.83 0.6 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 171.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -12.04 126.13 0.01 OUTLIER 'General case' 0 C--N 1.368 1.397 0 C-N-CA 129.941 3.296 . . . . 0.0 116.49 164.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . 0.358 14.7 m-20 25.63 -94.98 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 131.228 3.811 . . . . 0.0 119.022 -173.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 N--CA 1.439 -0.996 0 O-C-N 120.086 -1.633 . . . . 0.0 110.433 -176.181 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.6 m120 . . . . . 0 N--CA 1.441 -0.925 0 CA-C-O 123.68 1.705 . . . . 0.0 107.744 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -95.09 134.52 37.71 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.41 1.484 . . . . 0.0 110.774 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -101.08 -30.84 11.37 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -164.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.8 mm -66.47 -24.97 34.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 123.882 0.873 . . . . 0.0 112.585 -160.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -52.82 63.81 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.454 1.501 . . . . 0.0 113.392 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 m -72.8 -34.18 66.74 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.259 -1.526 . . . . 0.0 111.981 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.86 -45.15 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.917 -0.489 . . . . 0.0 111.407 166.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -56.32 -43.96 79.49 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 119.709 -1.869 . . . . 0.0 114.856 165.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.08 -62.11 1.87 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.756 1.616 . . . . 0.0 113.082 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -43.39 -48.66 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 128.029 2.532 . . . . 0.0 114.155 172.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.33 -52.18 63.21 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 124.16 0.984 . . . . 0.0 110.492 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 m -61.1 -54.67 41.69 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.802 -1.186 . . . . 0.0 112.801 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.9 -33.33 60.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 O-C-N 120.925 -1.109 . . . . 0.0 112.343 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -28.75 67.84 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.054 -1.654 . . . . 0.0 114.27 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -69.9 -47.37 62.78 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 123.0 1.381 . . . . 0.0 108.1 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -31.79 -66.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 129.09 2.956 . . . . 0.0 115.439 157.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.08 -54.68 9.84 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.177 1.942 . . . . 0.0 112.866 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.59 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 C-N-CA 128.963 2.905 . . . . 0.0 111.49 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -83.77 -32.23 25.52 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.5 -2.0 . . . . 0.0 113.844 -166.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.41 -67.32 0.59 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.199 1.0 . . . . 0.0 112.032 174.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -104.11 -18.3 14.58 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.6 -0.687 . . . . 0.0 112.234 -162.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 76.71 -175.59 0.11 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 126.021 1.728 . . . . 0.0 115.007 164.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 55.1 mp0 -42.23 -8.11 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 C-N-CA 129.621 3.169 . . . . 0.0 117.518 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.31 -49.43 42.77 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 125.76 1.624 . . . . 0.0 111.558 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.12 -52.85 11.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 O-C-N 119.402 -2.061 . . . . 0.0 109.606 172.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 24' ' ' GLU . 72.5 t -36.63 -40.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 130.253 3.421 . . . . 0.0 116.99 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -50.47 -33.21 20.36 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.862 1.265 . . . . 0.0 113.735 175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -89.3 104.78 17.3 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 120.527 -1.358 . . . . 0.0 109.06 -164.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -51.43 -52.59 44.87 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.51 -50.59 69.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.358 1.463 . . . . 0.0 113.607 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -57.77 -41.26 81.64 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.132 2.173 . . . . 0.0 113.461 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.94 -53.14 61.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.798 -1.188 . . . . 0.0 112.603 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.27 -34.96 56.01 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 O-C-N 120.884 -1.135 . . . . 0.0 108.589 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -22.86 15.61 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -35.46 63.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.193 1.397 . . . . 0.0 110.34 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.46 -45.72 75.13 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-O 123.098 1.428 . . . . 0.0 109.709 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.21 18.77 0.14 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.374 1.47 . . . . 0.0 114.366 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -49.96 4.02 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.481 2.312 . . . . 0.0 108.033 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.7 pt -98.97 2.14 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.928 1.691 . . . . 0.0 109.828 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.37 52.52 12.81 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 124.921 1.248 . . . . 0.0 115.161 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.11 79.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.541 0 CA-C-N 118.522 1.161 . . . . 0.0 109.682 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -97.48 122.29 40.36 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.617 -1.302 . . . . 0.0 113.167 -170.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -90.59 138.01 31.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.057 -2.277 . . . . 0.0 111.305 170.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 46.92 36.68 4.17 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.554 1.942 . . . . 0.0 113.442 -173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.93 -0.44 72.27 Favored Glycine 0 C--N 1.345 1.032 0 C-N-CA 125.872 1.701 . . . . 0.0 115.427 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -115.58 154.9 28.58 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.481 -1.011 . . . . 0.0 110.4 -171.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -77.48 127.68 32.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.005 -1.685 . . . . 0.0 110.726 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 83.01 5.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.099 -1.626 . . . . 0.0 115.012 -168.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -74.7 171.99 12.92 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.46 -1.4 . . . . 0.0 111.024 167.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -40.93 -46.12 2.72 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 118.051 2.612 . . . . 0.0 118.051 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -47.81 -63.92 0.93 Allowed 'General case' 0 C--N 1.351 0.65 0 C-N-CA 125.95 1.7 . . . . 0.0 115.096 166.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -66.77 -33.22 75.15 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 125.044 1.338 . . . . 0.0 112.104 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -63.58 -51.95 63.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.737 1.615 . . . . 0.0 111.912 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.999 -1.688 . . . . 0.0 112.622 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -53.09 -49.68 65.95 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.053 1.341 . . . . 0.0 113.987 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.66 -25.32 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.82 -1.175 . . . . 0.0 113.628 -173.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.0 t -87.02 -38.03 11.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 128.195 2.598 . . . . 0.0 112.105 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -56.52 -61.45 2.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.876 1.67 . . . . 0.0 115.137 164.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -89.94 72.3 7.48 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.71 135.58 54.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -79.5 152.56 30.14 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.635 1.574 . . . . 0.0 109.993 -170.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.58 -58.6 3.51 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 -165.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.04 -50.74 61.02 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.781 -2.449 . . . . 0.0 113.349 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.318 45.9 m-20 -21.08 -68.37 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 150.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.31 -34.92 71.1 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 119.809 -1.807 . . . . 0.0 114.709 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.95 -37.89 46.56 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 124.972 1.309 . . . . 0.0 109.545 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -52.22 -51.34 58.87 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 127.387 2.275 . . . . 0.0 112.288 163.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.53 -55.99 26.87 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.749 -1.22 . . . . 0.0 113.327 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -45.72 -43.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.284 1.434 . . . . 0.0 113.229 168.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.07 -29.98 69.9 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -81.64 -74.39 0.34 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.17 1.388 . . . . 0.0 109.963 171.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -86.44 82.13 8.07 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.915 2.486 . . . . 0.0 109.309 -175.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.59 -52.51 13.22 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 119.939 -1.725 . . . . 0.0 110.396 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.86 -35.27 62.34 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.983 -1.073 . . . . 0.0 110.314 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.71 91.78 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 115.146 0.819 . . . . 0.0 115.146 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -68.17 -59.35 3.29 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.185 1.493 . . . . 0.0 111.454 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.84 -30.91 71.85 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 123.587 0.755 . . . . 0.0 111.924 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.03 -57.79 17.96 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.982 1.277 . . . . 0.0 113.586 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.92 -36.46 57.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 120.674 -1.486 . . . . 0.0 113.645 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.59 -65.75 0.52 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -71.17 -30.88 66.97 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -40.21 81.96 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.722 1.146 . . . . 0.0 111.51 172.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.24 -53.47 43.88 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.643 1.577 . . . . 0.0 112.184 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -63.19 -24.2 67.77 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -83.27 -50.68 8.15 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.347 1.459 . . . . 0.0 112.251 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -70.0 -50.45 41.5 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -175.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 p -89.36 97.97 11.5 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.701 1.137 . . . . 0.0 108.364 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -93.59 96.41 9.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.646 -1.283 . . . . 0.0 110.052 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 pttm . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.908 -1.12 . . . . 0.0 112.299 -177.158 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.9 t -53.65 -47.9 60.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 113.101 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.13 -53.12 61.89 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 126.907 2.083 . . . . 0.0 113.717 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.17 -44.08 26.88 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 121.143 -0.973 . . . . 0.0 110.9 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 134.88 -18.64 4.02 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 115.621 1.008 . . . . 0.0 115.621 165.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.71 134.78 34.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.38 1.59 . . . . 0.0 110.278 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 60.7 p -69.63 167.73 16.32 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -48.79 -35.66 14.9 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 126.022 1.729 . . . . 0.0 115.454 158.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -63.52 -48.97 75.38 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 123.466 1.603 . . . . 0.0 111.226 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 128.085 2.554 . . . . 0.0 111.224 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.9 68.57 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.364 1.465 . . . . 0.0 113.573 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.21 -46.51 41.41 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 120.67 -1.269 . . . . 0.0 110.335 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 39.6 t -54.8 -37.85 42.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 119.15 -2.218 . . . . 0.0 113.637 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.85 -53.88 46.36 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.053 1.741 . . . . 0.0 113.455 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -82.92 -3.85 57.49 Favored 'General case' 0 C--N 1.342 0.267 0 O-C-N 120.197 -1.564 . . . . 0.0 114.242 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 64.7 mtm -89.17 -68.22 0.79 Allowed 'General case' 0 C--N 1.351 0.647 0 O-C-N 119.991 -1.693 . . . . 0.0 112.44 167.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -99.98 -36.38 9.4 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.313 -1.492 . . . . 0.0 112.796 -166.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -76.56 -19.24 58.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.869 -1.144 . . . . 0.0 109.312 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.2 30.41 71.78 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 125.362 1.458 . . . . 0.0 115.728 169.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -97.75 123.65 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.06 98.31 10.79 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.312 -0.868 . . . . 0.0 109.317 -170.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptp -118.43 133.29 56.0 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 173.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.2 p30 176.2 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.471 1.487 . . . . 0.0 111.598 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -175.3 5.01 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 120.371 -1.455 . . . . 0.0 109.672 173.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.06 119.1 12.13 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 122.15 0.976 . . . . 0.0 112.194 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -110.86 131.77 54.77 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 3.0 m -71.02 150.33 45.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 124.469 1.108 . . . . 0.0 109.355 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.33 -24.94 61.22 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 119.464 -2.022 . . . . 0.0 114.928 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.09 -48.88 74.46 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.094 -1.629 . . . . 0.0 113.589 163.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.534 1.534 . . . . 0.0 113.782 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.0 t -53.6 -46.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 125.541 1.536 . . . . 0.0 112.182 168.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.28 -44.07 96.78 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.097 -1.002 . . . . 0.0 113.799 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -73.36 -25.13 60.46 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.162 0.982 . . . . 0.0 110.999 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -70.81 -23.99 62.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 119.394 -2.066 . . . . 0.0 112.7 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -74.32 -63.72 1.17 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 125.002 1.321 . . . . 0.0 112.57 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -16.76 -65.3 0.01 OUTLIER 'General case' 0 C--N 1.354 0.791 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 147.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.15 -58.99 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.42 1.488 . . . . 0.0 112.442 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 27.2 m -44.49 -47.49 10.04 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 167.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -69.65 -37.91 76.93 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.46 -2.025 . . . . 0.0 111.84 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -56.76 -49.54 74.96 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.37 1.468 . . . . 0.0 112.199 165.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -55.07 -39.58 69.4 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 587' ' ' ILE . . . . . 0.414 ' HA ' HD12 ' B' ' 590' ' ' ILE . 90.1 mt -59.11 -38.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 O-C-N 121.013 -1.055 . . . . 0.0 112.164 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -73.49 -17.13 61.26 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 121.69 2.041 . . . . 0.0 110.371 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -78.47 -38.13 41.81 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 124.721 1.208 . . . . 0.0 112.256 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 590' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' B' ' 587' ' ' ILE . 91.6 mt -54.57 -50.11 61.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 120.329 -1.482 . . . . 0.0 112.769 168.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.42 -55.83 19.1 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 129.624 3.17 . . . . 0.0 112.235 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -45.76 -44.49 13.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.637 1.975 . . . . 0.0 114.693 172.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -81.64 -42.4 20.05 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.139 -0.975 . . . . 0.0 112.387 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.28 76.25 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 125.305 1.442 . . . . 0.0 113.989 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.61 -0.89 16.7 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 171.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -98.35 -25.6 14.77 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 119.888 -1.758 . . . . 0.0 109.208 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -69.93 -23.45 63.21 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 170.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.29 -179.12 6.06 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.308 1.043 . . . . 0.0 110.02 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -164.44 -36.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.2 -0.937 . . . . 0.0 112.828 -164.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -73.69 157.61 87.29 Favored Pre-proline 0 C--N 1.351 0.657 0 O-C-N 120.234 -1.541 . . . . 0.0 111.424 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -65.13 157.02 59.66 Favored 'Trans proline' 0 C--N 1.332 -0.319 0 CA-C-N 122.473 1.919 . . . . 0.0 115.369 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 47.6 t -147.06 -79.34 0.16 Allowed 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 124.078 0.951 . . . . 0.0 108.627 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -104.12 115.54 30.6 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 68.8 m -110.05 -21.67 12.19 Favored 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 120.889 -1.132 . . . . 0.0 113.217 -162.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -78.83 157.09 28.44 Favored 'General case' 0 C--N 1.344 0.344 0 O-C-N 120.571 -1.331 . . . . 0.0 112.079 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 20.3 t -85.63 117.89 31.36 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 O-C-N 120.465 -1.397 . . . . 0.0 110.053 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 64.4 mt -91.57 -166.81 1.65 Allowed 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.684 -1.26 . . . . 0.0 111.61 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -78.77 70.22 5.08 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 119.479 -2.013 . . . . 0.0 113.316 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 8.1 t -102.94 -121.69 0.19 Allowed 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 120.862 -1.149 . . . . 0.0 108.53 170.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -29.65 -63.72 0.12 Allowed 'General case' 0 C--N 1.358 0.973 0 C-N-CA 128.664 2.786 . . . . 0.0 116.502 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.13 -27.93 48.99 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 127.832 2.453 . . . . 0.0 116.352 -172.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -107.48 -136.07 0.36 Allowed 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 126.853 2.061 . . . . 0.0 110.866 -170.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 37.8 p30 . . . . . 0 N--CA 1.443 -0.801 0 O-C-N 119.954 -1.716 . . . . 0.0 109.371 174.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 . . . . . 0 N--CA 1.43 -1.453 0 CA-C-O 122.829 1.3 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -141.8 127.63 19.33 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -67.73 -39.12 84.32 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.056 -2.277 . . . . 0.0 113.575 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.442 HD13 ' HB3' ' A' ' 65' ' ' ASP . 9.1 tp -65.74 -35.08 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.05 -46.22 71.88 Favored 'General case' 0 N--CA 1.429 -1.499 1 C-N-CA 131.749 4.02 . . . . 0.0 110.154 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.3 m -78.87 -35.3 44.01 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 127.275 2.23 . . . . 0.0 112.656 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.92 -45.23 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 120.004 -1.685 . . . . 0.0 111.778 169.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -52.16 -37.42 54.49 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 118.872 -2.392 . . . . 0.0 116.766 167.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.95 -51.43 58.63 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.47 -44.73 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.937 2.095 . . . . 0.0 111.678 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.52 -50.49 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.724 -2.485 . . . . 0.0 114.225 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -66.82 -40.95 88.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -167.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.68 -33.58 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.17 66.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.304 -1.498 . . . . 0.0 113.826 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -55.0 -54.57 41.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 113.186 168.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.7 -39.66 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.94 -36.09 79.52 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.872 -1.767 . . . . 0.0 113.4 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 mm -68.71 -29.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 O-C-N 117.587 -3.195 . . . . 0.0 109.937 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -70.61 -53.98 13.79 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.58 -1.325 . . . . 0.0 113.079 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -82.18 -43.95 17.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -110.93 -33.28 6.56 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.383 -2.073 . . . . 0.0 113.61 -176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.26 39.5 mtm180 84.92 -144.35 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.108 2.963 . . . . 0.0 113.976 -174.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.6 -19.84 62.07 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.328 -2.732 . . . . 0.0 116.973 -167.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -54.53 -37.9 65.94 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.178 2.991 . . . . 0.0 115.898 -171.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.8 mt -76.26 -46.49 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 O-C-N 119.611 -1.931 . . . . 0.0 111.387 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -19.57 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.938 -1.727 . . . . 0.0 112.009 -172.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.94 2.496 . . . . 0.0 111.103 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -92.62 140.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.733 1.254 . . . . 0.0 110.515 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.69 -40.14 34.66 Favored 'General case' 0 N--CA 1.43 -1.428 1 O-C-N 116.275 -4.016 . . . . 0.0 111.356 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -58.26 9.37 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -58.09 -44.16 87.46 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -64.67 -35.08 79.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.19 -43.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.91 -2.369 . . . . 0.0 110.187 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.06 -42.14 27.76 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.676 2.39 . . . . 0.0 115.851 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.12 -50.26 74.73 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.985 1.314 . . . . 0.0 114.453 171.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.69 -39.5 91.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.517 1.627 . . . . 0.0 114.04 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.51 -33.81 71.63 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.917 -1.114 . . . . 0.0 113.821 175.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -54.41 -58.48 7.28 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.71 -1.869 . . . . 0.0 115.123 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 pt -75.68 -28.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.801 -1.812 . . . . 0.0 113.106 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.91 65.72 1.09 Allowed Glycine 0 N--CA 1.43 -1.712 0 CA-C-N 120.578 1.535 . . . . 0.0 113.284 165.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.2 148.21 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 166.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -156.42 142.42 18.05 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -136.95 128.81 29.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.858 2.063 . . . . 0.0 107.61 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 52.36 32.09 10.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.047 2.539 . . . . 0.0 117.152 -170.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.44 -10.54 66.5 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 118.407 -2.683 . . . . 0.0 112.103 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -102.44 128.59 48.98 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 124.206 1.955 . . . . 0.0 112.292 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -79.08 135.14 36.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 118.459 -2.65 . . . . 0.0 113.154 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 ' H ' ' A' ' 49' ' ' LEU 0.472 0.0 OUTLIER -75.52 96.83 3.57 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 -166.544 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -77.9 177.48 8.2 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.42 -1.425 . . . . 0.0 110.851 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -33.4 -54.55 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 130.952 3.701 . . . . 0.0 115.654 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -61.43 -50.46 72.72 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.783 2.033 . . . . 0.0 114.0 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -70.97 -32.81 69.78 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.691 2.396 . . . . 0.0 110.891 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.23 -54.44 44.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.413 2.285 . . . . 0.0 110.175 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -67.33 -26.75 66.66 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.895 1.678 . . . . 0.0 113.854 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.36 -67.33 0.46 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.765 1.226 . . . . 0.0 111.095 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.2 tt -66.16 -32.21 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -167.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.91 -18.55 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.258 -1.527 . . . . 0.0 112.585 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -99.53 -45.17 5.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.71 -10.77 60.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.937 2.94 . . . . 0.0 118.937 -171.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.24 159.83 30.44 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . 0.255 20.5 p -76.38 174.84 9.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.313 -2.117 . . . . 0.0 114.141 -166.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.14 -49.67 66.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.602 3.161 . . . . 0.0 112.999 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -73.8 -39.67 63.96 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.341 2.256 . . . . 0.0 111.968 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' HB3' HD13 ' A' ' 5' ' ' ILE . 71.7 m-20 -51.0 -58.76 5.23 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.34 -36.26 78.99 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.939 -1.725 . . . . 0.0 109.526 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -59.9 -45.32 92.92 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.02 -1.675 . . . . 0.0 113.901 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.5 m -56.02 -45.45 79.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 124.726 2.203 . . . . 0.0 113.278 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.84 -43.61 83.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.327 -2.108 . . . . 0.0 111.98 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.42 -52.74 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 124.644 1.178 . . . . 0.0 112.999 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -63.52 -20.58 65.73 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -89.09 -64.76 1.1 Allowed 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.409 1.084 . . . . 0.0 112.351 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -118.58 96.92 5.49 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.991 -1.693 . . . . 0.0 107.98 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.75 -56.0 9.47 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.568 1.147 . . . . 0.0 111.769 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.23 -35.44 80.34 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.994 -1.691 . . . . 0.0 113.836 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.71 -52.95 49.28 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 125.807 1.67 . . . . 0.0 113.751 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -60.89 -60.83 3.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.826 -1.985 . . . . 0.0 113.267 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.67 -40.1 59.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -52.3 27.8 Favored Glycine 0 N--CA 1.429 -1.785 0 C-N-CA 125.586 1.565 . . . . 0.0 111.917 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.5 t -59.63 -46.67 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 125.666 1.587 . . . . 0.0 111.038 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -54.12 -50.13 67.6 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.837 1.655 . . . . 0.0 114.892 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -67.44 -41.84 84.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.48 -29.73 65.16 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.616 -1.302 . . . . 0.0 112.875 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.3 mt -54.93 -50.67 68.28 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.535 -2.603 . . . . 0.0 113.288 166.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -74.71 -28.27 60.73 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.267 -2.146 . . . . 0.0 113.366 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.8 tpp -68.27 -53.35 25.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.758 1.266 . . . . 0.0 112.313 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -108.17 -44.81 4.07 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.106 -2.246 . . . . 0.0 112.795 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.2 m -89.33 96.98 10.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.899 -1.751 . . . . 0.0 111.339 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.35 163.35 12.9 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.496 3.147 . . . . 0.0 119.496 -165.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 N--CA 1.43 -1.468 0 O-C-N 120.161 -1.587 . . . . 0.0 111.058 -178.718 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 120.611 0.243 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 79.9 t -70.21 -36.1 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 111.952 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 84.5 mt -72.23 -49.43 35.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.359 -1.463 . . . . 0.0 111.3 172.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.26 -59.63 3.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -175.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.66 -24.7 9.47 Favored Glycine 0 N--CA 1.43 -1.715 0 C-N-CA 123.836 0.731 . . . . 0.0 111.389 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.55 142.01 36.12 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 166.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.37 162.66 14.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.652 -1.28 . . . . 0.0 111.381 175.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.84 -22.3 14.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.569 -2.582 . . . . 0.0 115.746 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -76.46 -27.04 55.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -78.17 -35.88 48.18 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.61 -2.556 . . . . 0.0 106.366 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.47 74.52 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 167.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.62 -47.2 80.17 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 124.614 2.149 . . . . 0.0 113.416 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.54 -40.55 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 117.554 -3.216 . . . . 0.0 114.445 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.5 -32.91 69.25 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -81.77 -45.78 15.15 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.067 -1.646 . . . . 0.0 115.213 170.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 60.2 mtm -60.25 -52.9 63.32 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.983 -1.698 . . . . 0.0 114.078 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -104.14 -55.93 2.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.74 -40.28 95.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 127.105 2.162 . . . . 0.0 110.73 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.26 54.28 2.31 Favored Glycine 0 N--CA 1.43 -1.764 0 C-N-CA 126.071 1.796 . . . . 0.0 111.493 165.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.6 mt -119.71 134.42 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.05 104.23 14.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 123.343 0.657 . . . . 0.0 110.13 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -141.04 67.43 1.35 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.47 -1.394 . . . . 0.0 110.442 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.7 -3.51 17.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.13 -2.856 . . . . 0.0 116.243 -171.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . 0.263 4.4 m -97.41 -107.48 0.17 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 122.291 1.043 . . . . 0.0 113.528 -165.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -110.72 150.12 29.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.61 -1.931 . . . . 0.0 110.6 -173.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 571' ' ' TYR . . . . . 0.413 ' HB3' HG23 ' B' ' 576' ' ' VAL . 9.7 m-85 -136.27 139.69 42.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.586 -1.946 . . . . 0.0 108.514 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 33.0 p -104.11 179.08 4.37 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.495 1.918 . . . . 0.0 109.195 156.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.31 -45.11 89.34 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.703 -1.873 . . . . 0.0 110.163 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.58 -47.7 76.01 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 171.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.09 -32.52 74.26 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.792 -1.817 . . . . 0.0 114.146 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 576' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' B' ' 571' ' ' TYR . 86.9 t -62.18 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.686 2.494 . . . . 0.0 111.826 166.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.85 -35.96 91.53 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.876 -2.39 . . . . 0.0 113.929 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.93 -54.73 41.45 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.425 -2.22 . . . . 0.0 113.208 173.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.65 -28.13 69.7 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.21 -59.08 5.64 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.749 -1.844 . . . . 0.0 111.285 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.79 -30.72 71.74 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.06 -51.2 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 168.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 81.1 m -59.56 -44.04 93.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.438 1.895 . . . . 0.0 112.05 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -55.77 -46.67 77.86 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.403 1.881 . . . . 0.0 114.52 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.59 -30.72 68.55 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.092 -2.88 . . . . 0.0 114.69 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -64.52 -37.75 88.63 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.458 1.123 . . . . 0.0 111.676 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.17 -47.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 124.836 1.254 . . . . 0.0 112.403 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.84 -28.66 64.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -62.74 -40.63 97.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.224 -1.547 . . . . 0.0 112.231 165.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.38 -49.37 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 119.301 -2.124 . . . . 0.0 111.284 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -53.77 -51.42 63.47 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.802 2.441 . . . . 0.0 115.213 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -48.92 -56.04 10.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.603 1.961 . . . . 0.0 114.119 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -64.5 -42.72 95.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.998 1.319 . . . . 0.0 113.764 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.49 88.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.33 -37.06 82.69 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.05 1.74 . . . . 0.0 112.262 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -65.86 -38.82 89.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 117.621 -3.174 . . . . 0.0 114.042 169.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -68.28 -31.72 71.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.864 2.066 . . . . 0.0 116.025 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.28 95.57 5.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.437 -2.039 . . . . 0.0 111.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -74.8 -3.72 33.45 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 118.012 2.597 . . . . 0.0 118.012 -161.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.99 138.84 21.63 Favored Pre-proline 0 N--CA 1.431 -1.418 0 CA-C-O 115.99 -1.957 . . . . 0.0 106.216 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.21 156.58 61.83 Favored 'Trans proline' 0 N--CA 1.434 -1.994 0 C-N-CA 124.177 3.251 . . . . 0.0 109.768 -158.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 53.2 p -140.09 -177.77 5.15 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.857 2.063 . . . . 0.0 110.828 -168.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 23.7 mtt-85 -86.11 103.27 14.61 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 117.889 -3.007 . . . . 0.0 109.405 161.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 67.2 m -69.32 -24.2 63.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.998 1.38 . . . . 0.0 111.131 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -160.93 150.18 16.86 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.164 2.986 . . . . 0.0 105.726 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 49.1 t -117.23 112.68 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 157.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 607' ' ' LEU . . . . . 0.629 ' H ' HD22 ' B' ' 607' ' ' LEU 0.342 2.3 mm? 6.32 -138.33 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.431 1 C-N-CA 132.917 4.487 . . . . 0.0 119.407 -157.094 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -141.86 -122.75 0.1 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.212 -2.18 . . . . 0.0 107.778 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 81.0 p -86.49 -1.12 57.33 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.028 -1.67 . . . . 0.0 109.989 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -60.29 -24.83 65.26 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 130.237 3.415 . . . . 0.0 115.099 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 611' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 607' ' ' LEU . 0.9 OUTLIER -77.36 -87.89 0.05 OUTLIER 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 120.187 -1.571 . . . . 0.0 108.781 178.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -114.19 128.64 56.46 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.634 -1.291 . . . . 0.0 111.727 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 N--CA 1.429 -1.499 0 O-C-N 120.055 -1.653 . . . . 0.0 110.526 -176.066 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 122.608 1.194 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -113.73 111.92 22.59 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.989 1.716 . . . . 0.0 110.256 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -74.31 -41.72 60.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.752 -1.217 . . . . 0.0 111.038 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.643 HD13 HD21 ' A' ' 61' ' ' LEU . 10.7 tp -61.45 -22.39 27.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 124.789 1.235 . . . . 0.0 114.275 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.64 -50.61 72.58 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 126.499 1.92 . . . . 0.0 111.345 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 m -65.88 -43.1 89.33 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.506 -1.371 . . . . 0.0 112.095 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.39 -48.52 56.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 C-N-CA 123.377 0.671 . . . . 0.0 112.407 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -50.4 -44.29 54.97 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.457 -1.402 . . . . 0.0 114.654 169.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.75 -59.6 5.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.624 -1.297 . . . . 0.0 113.223 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.14 -47.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 126.36 1.864 . . . . 0.0 112.768 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.1 -42.11 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 O-C-N 121.358 -0.839 . . . . 0.0 111.488 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 m -53.7 -52.34 60.39 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.56 -1.337 . . . . 0.0 113.08 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.73 -31.08 40.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 O-C-N 120.364 -1.46 . . . . 0.0 112.695 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.71 64.32 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 119.871 -1.768 . . . . 0.0 112.892 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.9 m -72.98 -51.32 18.79 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.748 1.737 . . . . 0.0 107.33 -172.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 17' ' ' ILE . 16.6 mt -33.28 -56.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 128.815 2.846 . . . . 0.0 115.592 159.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -47.2 -50.23 21.24 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-O 123.226 1.489 . . . . 0.0 112.915 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.03 -53.52 33.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 128.433 2.693 . . . . 0.0 110.375 -178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -66.71 -42.36 86.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 123.933 1.825 . . . . 0.0 112.52 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.93 -58.59 2.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 113.255 -1.793 . . . . 0.0 110.821 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -100.63 1.26 40.52 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.034 -1.041 . . . . 0.0 112.474 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.289 1.1 tpp180 64.34 -123.43 0.48 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 125.116 1.366 . . . . 0.0 112.136 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.4 -2.22 31.41 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.925 2.148 . . . . 0.0 113.093 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -42.26 -68.97 0.15 Allowed 'General case' 0 C--N 1.35 0.602 0 C-N-CA 128.13 2.572 . . . . 0.0 116.457 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.5 pt -87.31 -23.34 6.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 O-C-N 120.169 -1.582 . . . . 0.0 111.824 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t -61.3 -51.36 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 128.819 2.847 . . . . 0.0 113.56 170.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -55.23 -59.25 5.05 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.496 1.519 . . . . 0.0 113.443 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 102.87 1.93 Allowed 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.854 1.662 . . . . 0.0 110.61 -169.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -55.11 -56.57 18.38 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -159.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -40.08 67.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.259 1.423 . . . . 0.0 114.102 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -56.69 -41.63 77.69 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.333 1.453 . . . . 0.0 114.094 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -62.1 -63.88 1.11 Allowed 'General case' 0 CA--C 1.555 1.163 0 O-C-N 119.479 -2.013 . . . . 0.0 114.045 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.49 ' H ' HG13 ' A' ' 34' ' ' ILE . 6.3 mt -27.52 -67.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 128.595 2.758 . . . . 0.0 114.99 144.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.2 -28.89 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 118.303 -2.748 . . . . 0.0 116.214 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.03 -39.32 75.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.717 1.607 . . . . 0.0 111.309 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.41 -46.2 80.95 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-O 122.877 1.322 . . . . 0.0 112.474 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.29 -46.25 91.1 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.428 -1.42 . . . . 0.0 113.077 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -33.17 -56.71 0.4 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.606 2.362 . . . . 0.0 115.826 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.52 -7.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 O-C-N 121.798 -0.564 . . . . 0.0 111.973 -173.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.19 66.12 1.64 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 120.311 -1.493 . . . . 0.0 115.025 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -101.42 112.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 167.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.1 p -113.18 170.06 8.49 Favored 'General case' 0 C--N 1.368 1.39 0 CA-C-O 122.811 1.291 . . . . 0.0 112.011 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -137.53 140.02 40.84 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 48.26 35.03 5.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.436 1.894 . . . . 0.0 113.469 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.22 -2.47 86.98 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.879 1.705 . . . . 0.0 115.339 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -110.81 132.21 54.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.867 1.667 . . . . 0.0 109.612 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.43 125.55 29.51 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.316 -1.49 . . . . 0.0 108.975 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -75.47 105.9 6.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 123.937 1.827 . . . . 0.0 115.836 -161.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -75.53 -177.1 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.368 -1.458 . . . . 0.0 112.954 168.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -55.64 -41.11 73.11 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.35 1.46 . . . . 0.0 114.76 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -53.23 -63.58 1.1 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.226 2.21 . . . . 0.0 111.787 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -59.24 -43.7 92.38 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.907 -1.121 . . . . 0.0 113.454 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -53.37 -52.54 58.94 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.352 1.861 . . . . 0.0 113.603 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -80.29 -28.7 38.23 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.687 -1.258 . . . . 0.0 112.48 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.66 -41.23 84.11 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.115 -1.615 . . . . 0.0 114.223 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.1 tt -67.4 -37.47 79.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 O-C-N 119.859 -1.776 . . . . 0.0 112.726 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.19 -40.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 C-N-CA 128.647 2.779 . . . . 0.0 113.475 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -93.52 -19.64 21.02 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 119.283 -2.136 . . . . 0.0 114.238 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.72 21.15 11.79 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 122.641 2.473 . . . . 0.0 111.981 162.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.643 HD21 HD13 ' A' ' 5' ' ' ILE . 1.6 tt -64.17 138.6 58.52 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.791 1.636 . . . . 0.0 113.056 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 61' ' ' LEU . 26.0 m -75.35 143.02 43.07 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.319 1.448 . . . . 0.0 112.383 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.56 -51.12 62.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.363 -2.085 . . . . 0.0 116.312 -168.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.15 -34.46 76.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 119.402 -2.062 . . . . 0.0 114.314 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 17.3 m-20 -55.38 -54.54 42.37 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.723 1.609 . . . . 0.0 114.339 171.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HB3' HD22 ' A' ' 61' ' ' LEU . 19.6 ptmt -61.72 -39.81 92.85 Favored 'General case' 0 C--N 1.369 1.438 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.827 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -71.68 -32.52 67.93 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 121.534 -0.729 . . . . 0.0 110.89 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 m -56.73 -39.27 73.65 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.436 -1.415 . . . . 0.0 112.922 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.96 -55.05 14.17 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.8 -1.813 . . . . 0.0 112.191 169.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.3 mm -45.96 -54.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 127.057 2.143 . . . . 0.0 112.321 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.24 -19.46 65.98 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.716 -1.24 . . . . 0.0 113.323 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -87.37 -64.04 1.21 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.883 -1.136 . . . . 0.0 111.118 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -98.97 84.36 3.06 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 126.639 1.975 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -67.53 -51.69 47.85 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.914 -1.117 . . . . 0.0 113.412 -174.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.05 -41.63 12.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.736 1.214 . . . . 0.0 109.981 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.12 -47.47 89.65 Favored Glycine 0 C--N 1.351 1.396 0 C-N-CA 125.218 1.39 . . . . 0.0 115.02 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 -55.05 5.73 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.5 -1.588 . . . . 0.0 111.521 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -59.12 -42.67 91.14 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 125.534 1.534 . . . . 0.0 112.016 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.14 -22.81 71.05 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 124.873 1.225 . . . . 0.0 115.199 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.3 t -88.48 -52.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 121.331 2.565 . . . . 0.0 111.038 172.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.05 -24.23 61.49 Favored 'General case' 0 C--N 1.362 1.142 0 O-C-N 119.88 -1.762 . . . . 0.0 113.48 -166.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -75.4 -35.31 61.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.15 -0.969 . . . . 0.0 111.553 170.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -67.34 -37.31 83.05 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.665 -1.272 . . . . 0.0 111.266 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.3 tt -49.18 -54.02 18.45 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.86 1.264 . . . . 0.0 112.74 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -79.66 -22.1 43.93 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.0 mtp -66.0 -33.54 76.04 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.987 -1.695 . . . . 0.0 111.795 167.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -74.78 -55.62 5.65 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.125 -0.984 . . . . 0.0 113.002 170.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -100.81 95.95 6.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.316 1.417 . . . . 0.0 111.857 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -85.71 118.44 25.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.836 1.254 . . . . 0.0 111.301 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 C--N 1.348 0.528 0 O-C-N 120.028 -1.67 . . . . 0.0 112.03 177.694 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 59.3 t -52.76 -41.9 40.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 168.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.43 -47.75 84.27 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.364 -1.46 . . . . 0.0 114.848 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -82.27 -31.23 30.2 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.611 0.764 . . . . 0.0 112.031 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.98 -32.97 2.15 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 120.732 -1.23 . . . . 0.0 112.238 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.14 108.92 19.12 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.305 1.526 . . . . 0.0 113.858 -162.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 170.51 16.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 119.011 -2.305 . . . . 0.0 111.815 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -43.31 -29.16 0.39 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 128.066 2.546 . . . . 0.0 117.462 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -75.89 -52.04 11.18 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 124.373 2.035 . . . . 0.0 111.041 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.08 -47.75 84.1 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 129.654 3.181 . . . . 0.0 112.123 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.98 78.5 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 125.049 1.34 . . . . 0.0 113.562 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -66.49 -49.15 67.56 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.643 0.777 . . . . 0.0 110.136 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.48 -44.86 85.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 122.347 1.07 . . . . 0.0 112.131 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.14 -66.17 0.45 Allowed 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.553 2.341 . . . . 0.0 112.221 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -81.75 -2.1 49.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.569 -1.957 . . . . 0.0 114.524 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 87.9 mmm -86.26 -56.41 3.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.752 1.16 . . . . 0.0 112.395 163.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -94.08 -50.3 5.37 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.209 1.004 . . . . 0.0 112.56 -167.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.49 -38.59 74.37 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.913 0.885 . . . . 0.0 110.129 -175.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 92.48 15.18 54.08 Favored Glycine 0 C--N 1.348 1.2 0 N-CA-C 118.392 2.117 . . . . 0.0 118.392 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 32.8 mt -92.97 126.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 119.382 1.591 . . . . 0.0 107.438 162.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -89.88 111.89 23.07 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.299 1.04 . . . . 0.0 110.912 -170.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -133.55 65.33 1.59 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.543 1.137 . . . . 0.0 112.844 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -23.91 9.84 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.325 1.45 . . . . 0.0 108.863 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.1 t -87.63 -174.37 4.75 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 120.436 -1.415 . . . . 0.0 110.575 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.79 112.16 1.93 Allowed 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.644 1.578 . . . . 0.0 112.911 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.38 121.68 44.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 38.4 p -72.71 158.63 35.24 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 120.615 -1.303 . . . . 0.0 110.229 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.59 -19.6 65.81 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.178 -2.201 . . . . 0.0 112.98 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -55.2 -47.77 74.81 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.221 1.809 . . . . 0.0 114.988 157.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.3 -26.45 55.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.726 2.41 . . . . 0.0 113.703 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.03 -43.07 96.1 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-O 122.883 1.325 . . . . 0.0 110.774 164.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.04 -50.54 66.37 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 120.482 -1.386 . . . . 0.0 112.648 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -66.24 -24.79 66.65 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.547 -0.973 . . . . 0.0 112.471 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.99 -20.31 56.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.509 -1.995 . . . . 0.0 113.249 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -20.74 59.83 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.197 -2.19 . . . . 0.0 114.051 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -70.06 -67.54 0.48 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.564 2.745 . . . . 0.0 116.545 148.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.27 84.4 t -64.05 -53.3 45.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -163.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 24.9 m -42.26 -47.73 4.82 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -58.15 -45.32 87.59 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 118.799 -2.438 . . . . 0.0 113.845 173.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -50.67 -56.48 11.72 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.602 0.715 . . . . 0.0 111.881 168.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -54.18 -45.78 72.2 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.795 -1.191 . . . . 0.0 113.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.68 -38.69 73.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.721 1.608 . . . . 0.0 110.364 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.4 -12.72 60.91 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 119.378 -2.076 . . . . 0.0 112.237 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -89.64 -26.97 20.46 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.976 1.71 . . . . 0.0 112.915 169.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.56 -50.88 78.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 120.538 -1.351 . . . . 0.0 112.014 162.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.16 -52.99 56.98 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 129.273 3.029 . . . . 0.0 111.506 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -35.75 -50.75 0.65 Allowed 'General case' 0 C--N 1.349 0.578 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 166.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -74.44 -53.83 8.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.925 -1.109 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.44 73.35 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 126.801 2.041 . . . . 0.0 113.634 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 48.4 mt -61.12 -43.72 98.44 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -74.92 -26.11 59.4 Favored 'General case' 0 C--N 1.366 1.307 0 O-C-N 119.532 -1.98 . . . . 0.0 111.224 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -60.54 -23.52 64.67 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.516 1.526 . . . . 0.0 113.893 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.8 mt -81.9 91.11 6.5 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.607 -1.308 . . . . 0.0 111.285 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -83.1 -12.87 56.67 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.986 -1.696 . . . . 0.0 114.002 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.09 110.93 12.48 Favored Pre-proline 0 C--N 1.352 0.699 0 O-C-N 120.017 -1.677 . . . . 0.0 107.664 160.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.96 96.78 0.95 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.606 2.204 . . . . 0.0 112.856 -156.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 66.1 m -79.93 68.25 5.98 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 124.09 0.956 . . . . 0.0 110.798 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -125.34 138.13 54.06 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 124.293 1.037 . . . . 0.0 111.318 -169.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 51.4 p -127.79 -78.4 0.58 Allowed 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -147.09 -174.21 4.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.682 0.793 . . . . 0.0 111.136 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.5 p -99.48 68.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-O 124.089 1.899 . . . . 0.0 110.46 -174.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.81 130.66 42.06 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.308 -1.495 . . . . 0.0 111.283 -168.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -55.22 3.52 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 114.798 1.406 . . . . 0.0 114.798 -164.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 5.0 m -114.85 -50.68 2.76 Favored 'General case' 0 C--N 1.368 1.411 0 CA-C-N 121.043 1.747 . . . . 0.0 111.649 -173.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -86.68 36.3 0.7 Allowed 'General case' 0 C--N 1.35 0.603 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -165.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.01 38.8 0.02 OUTLIER 'General case' 0 C--N 1.343 0.317 0 C-N-CA 128.369 2.668 . . . . 0.0 115.248 167.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -91.85 173.76 7.69 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 119.916 -1.74 . . . . 0.0 114.125 -159.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 16.4 p30 . . . . . 0 N--CA 1.435 -1.209 0 C-N-CA 125.808 1.643 . . . . 0.0 109.745 174.683 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 . . . . . 0 N--CA 1.435 -1.176 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -135.7 152.0 50.73 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.311 -1.493 . . . . 0.0 110.174 168.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -49.29 -25.64 2.51 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.34 -24.07 34.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.858 1.263 . . . . 0.0 111.88 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.28 -51.74 68.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.408 -1.433 . . . . 0.0 112.325 168.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -55.79 -47.17 77.56 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.441 -1.412 . . . . 0.0 111.728 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -54.04 -52.53 35.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 125.342 1.457 . . . . 0.0 111.848 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HG3' HD11 ' A' ' 69' ' ' LEU . 12.8 mtp180 -53.62 -47.51 70.2 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.41 1.884 . . . . 0.0 114.371 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.26 -57.42 12.3 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.103 1.361 . . . . 0.0 113.695 170.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -49.91 -49.34 21.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 126.467 1.907 . . . . 0.0 114.405 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.266 10.8 pt -64.0 -38.53 82.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -67.04 -54.66 19.46 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.083 0.953 . . . . 0.0 112.309 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.1 -27.43 29.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 O-C-N 120.208 -1.557 . . . . 0.0 112.501 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.7 -19.8 60.11 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.792 -1.192 . . . . 0.0 113.525 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -72.9 -47.39 46.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 124.276 1.989 . . . . 0.0 106.965 -168.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.9 mt -31.62 -59.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 130.934 3.694 . . . . 0.0 114.952 158.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.4 mt -50.34 -50.01 52.3 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.245 1.022 . . . . 0.0 112.623 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.1 -56.24 18.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 111.972 -2.376 . . . . 0.0 111.15 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.83 -34.67 71.92 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 118.283 -2.761 . . . . 0.0 112.1 -167.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.12 -59.97 2.24 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 125.458 1.503 . . . . 0.0 112.994 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.8 p -105.3 -8.1 18.48 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.524 -1.36 . . . . 0.0 114.104 -172.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.449 15.4 mtp85 71.55 -124.91 0.07 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.032 1.333 . . . . 0.0 113.3 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -109.5 1.18 19.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 119.779 -1.826 . . . . 0.0 114.148 -163.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.12 -44.86 52.26 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.3 mt -77.66 -48.53 23.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 O-C-N 120.505 -1.372 . . . . 0.0 109.836 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -39.91 -46.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.568 0 C-N-CA 129.42 3.088 . . . . 0.0 115.513 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -47.3 -34.77 7.1 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 175.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -93.57 115.07 27.55 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -167.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.06 68.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 O-C-N 121.054 -1.028 . . . . 0.0 113.749 -167.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' B' ' 602' ' ' SER . . . -78.68 -50.68 11.01 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 120.451 -1.406 . . . . 0.0 112.315 170.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -35.01 78.49 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.475 1.51 . . . . 0.0 112.31 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.11 -58.0 10.41 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 mt -70.06 -37.68 72.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 119.986 -1.696 . . . . 0.0 110.295 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.97 -21.54 12.16 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 127.189 2.196 . . . . 0.0 116.637 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -26.16 56.92 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.512 -0.742 . . . . 0.0 110.676 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.26 -44.49 25.38 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.525 -1.36 . . . . 0.0 109.871 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -72.2 7.23 1.79 Allowed 'General case' 0 C--N 1.347 0.496 0 O-C-N 119.516 -1.99 . . . . 0.0 113.984 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.0 -50.9 6.34 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 123.023 1.392 . . . . 0.0 110.01 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -96.52 -4.58 10.04 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.352 1.061 . . . . 0.0 110.731 -175.626 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.68 53.11 1.86 Allowed Glycine 0 C--N 1.35 1.351 0 N-CA-C 117.427 1.731 . . . . 0.0 117.427 169.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.86 110.71 22.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 CA-C-N 119.67 1.735 . . . . 0.0 108.559 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -124.26 -179.81 4.6 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.321 -1.487 . . . . 0.0 108.693 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -163.48 130.99 3.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.925 -1.11 . . . . 0.0 108.74 164.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.453 44.2 mt-10 74.94 7.85 4.21 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 122.065 2.211 . . . . 0.0 113.595 175.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.19 -11.62 37.04 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 126.185 1.85 . . . . 0.0 114.121 170.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -96.0 142.89 27.67 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.913 -1.345 . . . . 0.0 111.558 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -72.0 125.5 27.39 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 161.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.52 82.58 0.1 Allowed 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -86.71 -163.86 0.97 Allowed 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.387 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.44 -30.3 67.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.226 -1.546 . . . . 0.0 113.129 -167.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -51.99 -61.45 2.25 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.237 1.415 . . . . 0.0 113.403 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -45.64 89.86 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -56.91 11.54 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -77.76 -33.71 52.67 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.983 -1.073 . . . . 0.0 111.113 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -51.87 -52.58 48.6 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.9 pt -67.12 -37.36 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.649 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -172.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.28 -34.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 C-N-CA 128.885 2.874 . . . . 0.0 112.942 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -76.84 -43.03 37.85 Favored 'General case' 0 C--N 1.344 0.332 0 O-C-N 119.171 -2.206 . . . . 0.0 113.919 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -90.14 15.9 9.43 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 123.989 3.086 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -69.31 144.52 53.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.111 1.365 . . . . 0.0 111.469 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.43 167.93 18.87 Favored 'General case' 0 C--O 1.222 -0.369 0 O-C-N 120.582 -1.324 . . . . 0.0 109.569 -173.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -50.25 72.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 119.75 -1.844 . . . . 0.0 114.202 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.14 -45.59 73.19 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.573 -1.329 . . . . 0.0 114.332 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -33.23 -64.69 0.19 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 128.757 2.823 . . . . 0.0 116.011 166.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.265 4.9 ptmm? -67.53 -44.56 78.03 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.018 -1.051 . . . . 0.0 113.589 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -63.63 -39.2 93.75 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 122.786 0.435 . . . . 0.0 110.668 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -49.92 -49.16 50.89 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.811 1.245 . . . . 0.0 114.235 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD11 ' HG3' ' A' ' 9' ' ' ARG . 26.3 mt -74.22 -39.72 62.91 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.73 -1.856 . . . . 0.0 112.467 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -48.66 -46.85 15.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 126.134 1.774 . . . . 0.0 112.225 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.21 -50.99 42.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.978 1.311 . . . . 0.0 114.306 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -74.65 -49.93 19.57 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -129.26 78.89 1.88 Allowed 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.67 1.188 . . . . 0.0 109.3 -170.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -33.78 71.25 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.368 -1.458 . . . . 0.0 112.312 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.35 -30.48 62.03 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.367 -1.458 . . . . 0.0 110.827 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -62.0 3.65 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.791 0.71 . . . . 0.0 112.404 173.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -74.82 -62.72 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 120.76 -1.435 . . . . 0.0 113.36 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.02 -39.79 83.05 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.571 -1.331 . . . . 0.0 111.149 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.27 -48.06 54.52 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.102 1.334 . . . . 0.0 114.305 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.2 t -81.44 -53.52 12.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.248 -1.736 . . . . 0.0 114.371 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.283 0.1 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.367 1.33 0 O-C-N 118.597 -2.565 . . . . 0.0 115.765 -161.175 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -77.92 -31.4 51.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 119.998 -1.689 . . . . 0.0 111.03 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -68.53 -35.95 78.16 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 111.979 167.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.0 -53.82 47.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.057 1.743 . . . . 0.0 113.27 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.85 -26.47 59.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.89 -1.131 . . . . 0.0 113.412 176.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 66.1 ttp -67.2 -53.32 31.37 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.15 -1.594 . . . . 0.0 112.494 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -75.24 -54.95 6.23 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.139 -0.976 . . . . 0.0 111.286 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -80.11 91.42 5.52 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 124.0 1.857 . . . . 0.0 108.72 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -106.84 154.02 21.63 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 119.883 -1.761 . . . . 0.0 106.802 -168.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-N 121.917 2.144 . . . . 0.0 111.695 172.084 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.01 -43.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 127.881 2.473 . . . . 0.0 112.281 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.89 -51.56 68.6 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.0 -36.5 48.77 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.537 -1.352 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 133.44 -25.35 3.63 Favored Glycine 0 CA--C 1.492 -1.38 0 O-C-N 121.656 -0.653 . . . . 0.0 112.782 164.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.49 128.35 35.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 123.377 1.56 . . . . 0.0 113.722 -173.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.6 t -77.26 166.76 22.77 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-O 122.525 1.155 . . . . 0.0 111.469 -175.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.71 -33.54 66.57 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.318 -1.489 . . . . 0.0 113.387 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -66.67 -35.62 80.59 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.833 2.053 . . . . 0.0 112.01 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.1 -42.52 66.01 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.52 1.528 . . . . 0.0 109.809 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.29 73.96 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.982 -1.074 . . . . 0.0 112.895 173.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -52.68 -60.67 2.96 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.389 1.476 . . . . 0.0 113.9 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.26 -25.26 36.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 120.112 -1.617 . . . . 0.0 114.474 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.2 -45.12 81.86 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 124.168 0.987 . . . . 0.0 110.564 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.5 -31.56 68.7 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 167.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 98.2 mmm -68.88 -64.47 0.86 Allowed 'General case' 0 C--N 1.353 0.725 0 O-C-N 117.686 -3.134 . . . . 0.0 114.03 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -95.58 -33.51 12.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -165.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -90.62 -24.14 20.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.894 -1.129 . . . . 0.0 112.727 -167.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 96.06 12.22 52.82 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 121.438 -0.789 . . . . 0.0 114.836 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.4 114.57 47.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 118.822 1.311 . . . . 0.0 108.27 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -84.6 102.5 12.96 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.812 -1.18 . . . . 0.0 110.488 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 40.5 mtt -97.92 61.51 1.54 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 119.232 -2.168 . . . . 0.0 109.406 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -122.49 -45.48 2.19 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 121.122 -0.987 . . . . 0.0 110.735 -173.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 18.5 p -77.25 165.97 23.8 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.986 1.314 . . . . 0.0 110.169 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -45.96 135.59 7.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 129.089 2.956 . . . . 0.0 116.868 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -133.45 160.04 38.57 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 122.521 1.153 . . . . 0.0 110.561 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -134.65 153.51 51.95 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 107.685 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.58 -38.12 52.95 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -170.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -73.18 -37.58 66.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.343 -1.473 . . . . 0.0 111.502 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -68.41 -41.79 79.93 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 127.464 2.305 . . . . 0.0 113.392 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.79 -50.18 24.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 C-N-CA 125.339 1.456 . . . . 0.0 112.264 164.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.92 -41.01 97.62 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 123.921 0.772 . . . . 0.0 113.414 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -73.3 -33.23 65.07 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 122.73 1.252 . . . . 0.0 109.524 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -76.89 -12.0 59.9 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.592 -1.317 . . . . 0.0 113.139 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -74.98 -60.08 2.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.954 1.702 . . . . 0.0 109.519 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -31.37 -68.91 0.08 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 128.172 2.589 . . . . 0.0 115.86 153.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 71.8 t -48.99 -60.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 125.418 1.487 . . . . 0.0 113.706 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -17.61 64.97 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -66.66 -39.07 88.03 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 119.927 -1.733 . . . . 0.0 109.161 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -61.09 -48.23 82.67 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.942 167.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.87 -38.97 73.49 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 120.899 1.681 . . . . 0.0 111.979 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.49 -43.07 86.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.31 -1.494 . . . . 0.0 112.438 171.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -71.94 -17.56 62.07 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 123.636 2.925 . . . . 0.0 110.676 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -76.53 -32.01 57.99 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.707 -1.246 . . . . 0.0 112.584 169.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.04 -49.92 81.56 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.882 1.673 . . . . 0.0 111.948 162.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -51.93 -55.45 20.18 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.43 -51.12 15.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.588 1.955 . . . . 0.0 114.838 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.73 -24.09 56.13 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.011 -1.68 . . . . 0.0 112.168 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -80.32 -36.09 34.74 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.11 0.964 . . . . 0.0 110.802 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.11 -1.05 18.52 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 170.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.13 -43.13 6.43 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.567 . . . . 0.0 109.679 171.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -66.03 -35.98 82.02 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.62 -1.3 . . . . 0.0 112.776 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.59 150.31 41.51 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.038 1.399 . . . . 0.0 108.135 165.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.35 -26.09 0.1 Allowed 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 121.103 -0.998 . . . . 0.0 111.598 -148.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -88.0 119.63 70.49 Favored Pre-proline 0 C--N 1.352 0.69 0 O-C-N 120.215 -1.553 . . . . 0.0 107.979 156.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -65.89 158.68 52.69 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 CA-C-N 122.786 2.031 . . . . 0.0 116.022 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 602' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 64.6 p -109.38 -99.5 0.39 Allowed 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.741 1.216 . . . . 0.0 110.716 -175.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -78.87 116.14 19.01 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.64 1.176 . . . . 0.0 108.078 163.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 55.5 p -78.93 -25.26 43.67 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 120.894 -1.129 . . . . 0.0 112.39 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -68.08 170.09 9.04 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 122.863 1.316 . . . . 0.0 114.233 -174.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 10.5 t -87.19 78.16 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 O-C-N 120.282 -1.511 . . . . 0.0 110.486 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 37.7 tp -96.05 90.01 5.4 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 120.602 -1.311 . . . . 0.0 107.877 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -175.02 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.148 0.979 . . . . 0.0 109.138 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 15.0 m -80.26 -19.24 47.25 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -159.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -70.31 -25.15 63.18 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.733 2.061 . . . . 0.0 112.946 -167.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.26 100.34 9.84 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.111 1.364 . . . . 0.0 110.303 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 67.02 73.2 0.35 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 127.045 2.138 . . . . 0.0 115.912 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 CA--C 1.551 1.016 0 O-C-N 120.702 -1.249 . . . . 0.0 108.246 175.337 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 122.72 1.247 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -114.65 138.41 50.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 122.066 0.936 . . . . 0.0 110.98 175.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -93.22 -21.78 19.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.871 -1.143 . . . . 0.0 110.137 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 tp -65.18 -21.57 29.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.85 -48.41 76.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 120.067 -1.646 . . . . 0.0 113.421 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 m -68.91 -41.81 77.68 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.838 -1.163 . . . . 0.0 110.74 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.265 10.7 t -57.11 -43.88 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 120.67 -1.268 . . . . 0.0 113.254 173.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -51.79 -46.7 64.29 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 118.963 -2.335 . . . . 0.0 115.11 166.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.67 -56.16 23.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.722 1.609 . . . . 0.0 112.487 170.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.57 -51.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 127.926 2.49 . . . . 0.0 114.269 168.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.22 -46.41 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 C-N-CA 124.252 1.021 . . . . 0.0 110.775 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 m -59.16 -46.7 87.69 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.355 -0.84 . . . . 0.0 113.068 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -78.51 -27.66 14.26 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 O-C-N 120.252 -1.53 . . . . 0.0 114.041 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -20.68 60.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.0 -2.313 . . . . 0.0 111.743 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -72.26 -52.74 14.96 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 123.785 1.755 . . . . 0.0 108.22 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -26.74 -60.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 130.947 3.699 . . . . 0.0 115.371 159.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.42 -36.54 69.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.54 1.136 . . . . 0.0 113.442 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -74.81 -55.63 11.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 125.504 1.522 . . . . 0.0 110.136 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -63.58 -34.62 78.21 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.397 -2.065 . . . . 0.0 112.075 -166.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -79.74 -58.32 3.24 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 126.258 1.823 . . . . 0.0 112.08 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -116.32 -1.54 12.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 120.426 -1.421 . . . . 0.0 113.318 -164.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 52.85 -106.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.157 1.783 . . . . 0.0 113.317 -171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.69 4.99 38.74 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.393 -1.442 . . . . 0.0 112.909 -171.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.99 -44.59 72.55 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 118.375 -2.703 . . . . 0.0 115.998 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -30.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 120.103 -1.623 . . . . 0.0 110.799 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -43.89 -53.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 164.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.71 -27.38 58.96 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -162.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -101.26 123.37 45.27 Favored 'General case' 0 N--CA 1.439 -0.986 0 O-C-N 119.195 -2.191 . . . . 0.0 105.364 -171.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -60.12 -23.94 64.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.8 -53.59 12.85 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.707 -1.246 . . . . 0.0 110.429 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.91 -38.62 73.08 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.958 1.703 . . . . 0.0 115.088 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.5 -70.28 0.21 Allowed 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.213 -1.554 . . . . 0.0 113.415 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' H ' HG13 ' A' ' 34' ' ' ILE . 34.3 mt -26.36 -54.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.191 2.596 . . . . 0.0 114.445 148.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -58.67 -30.94 67.74 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 117.167 -3.458 . . . . 0.0 117.145 173.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.31 -35.96 68.76 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.889 1.276 . . . . 0.0 111.368 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.9 -37.19 75.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.917 -1.114 . . . . 0.0 111.39 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -77.14 -29.74 54.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 119.662 -1.899 . . . . 0.0 112.523 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.46 -58.73 1.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.194 2.197 . . . . 0.0 114.978 165.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.97 -7.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 120.445 -1.409 . . . . 0.0 112.487 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.2 62.47 2.19 Favored Glycine 0 CA--C 1.49 -1.474 0 O-C-N 120.768 -1.208 . . . . 0.0 114.989 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -100.66 127.64 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 166.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.0 p -124.6 172.31 9.34 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.722 -1.236 . . . . 0.0 111.078 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -142.47 146.49 34.83 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 45.89 32.95 1.43 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 123.588 1.661 . . . . 0.0 114.565 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.56 -1.47 85.69 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 126.276 1.893 . . . . 0.0 115.706 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.1 151.41 34.36 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 120.95 -1.324 . . . . 0.0 110.627 -166.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -78.36 135.08 37.39 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.887 -1.133 . . . . 0.0 108.653 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.82 82.54 8.08 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.146 -1.596 . . . . 0.0 114.665 -167.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.58 179.98 1.22 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.294 159.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -51.31 -42.79 61.43 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 125.295 1.438 . . . . 0.0 113.985 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.527 2.731 . . . . 0.0 112.657 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -66.84 -36.97 83.56 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.496 1.118 . . . . 0.0 112.247 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.74 -54.12 50.63 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.116 1.366 . . . . 0.0 113.195 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -70.09 -32.01 69.87 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.126 -1.609 . . . . 0.0 111.591 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -78.19 -38.99 42.09 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tt -63.79 -42.57 96.35 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 120.616 -1.303 . . . . 0.0 112.097 175.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.55 -56.09 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 125.672 1.589 . . . . 0.0 113.857 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -76.49 -25.36 54.19 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 118.48 -2.638 . . . . 0.0 110.609 -164.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -94.88 20.66 8.51 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.657 1.183 . . . . 0.0 113.544 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.87 160.82 25.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.059 -1.651 . . . . 0.0 114.121 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -77.8 129.22 35.18 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.705 -1.247 . . . . 0.0 109.256 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -34.82 -48.07 0.37 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.88 -31.9 71.17 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -94.78 -20.19 19.7 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 120.064 1.302 . . . . 0.0 113.546 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -48.8 -42.95 37.64 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.881 -1.762 . . . . 0.0 113.604 150.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -78.35 -28.13 47.14 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.695 -0.628 . . . . 0.0 111.939 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.8 m -54.19 -42.21 69.44 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.806 -1.809 . . . . 0.0 113.357 167.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.05 -55.63 13.54 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 119.866 -1.771 . . . . 0.0 113.298 169.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.8 mt -42.53 -56.87 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 125.359 1.464 . . . . 0.0 113.569 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.55 -37.28 83.2 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.362 1.465 . . . . 0.0 113.891 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -83.32 -67.33 0.8 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.33 0.652 . . . . 0.0 110.414 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -87.62 77.94 8.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.2 1.4 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -61.25 -44.2 97.63 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.427 -1.421 . . . . 0.0 113.71 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -78.74 -41.94 29.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.192 0.996 . . . . 0.0 109.969 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.79 -45.78 95.01 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 125.7 1.619 . . . . 0.0 114.131 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -75.45 -51.94 11.86 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.253 -1.733 . . . . 0.0 111.791 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -54.1 -40.3 67.16 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.496 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.2 -64.91 3.02 Favored Glycine 0 C--N 1.35 1.313 0 C-N-CA 124.927 1.251 . . . . 0.0 114.564 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.404 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 73.9 t -70.13 -47.62 66.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 120.42 2.11 . . . . 0.0 114.585 -174.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -36.87 -57.97 0.78 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 126.818 2.047 . . . . 0.0 115.234 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -57.46 -41.63 80.97 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 80' ' ' VAL 0.295 34.6 p90 -85.28 -32.89 22.3 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.35 -1.469 . . . . 0.0 113.453 -175.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 mt -72.34 -30.11 64.44 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.085 -1.634 . . . . 0.0 112.759 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.61 -32.5 60.31 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.188 -1.57 . . . . 0.0 111.168 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.0 ttp -66.13 -65.33 0.69 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.152 1.381 . . . . 0.0 114.057 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.74 -4.32 50.62 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -168.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.3 m -84.1 120.83 26.63 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 119.08 -2.262 . . . . 0.0 111.35 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.55 136.81 54.3 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 126.611 1.964 . . . . 0.0 112.884 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt . . . . . 0 N--CA 1.447 -0.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.046 -172.08 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.532 0.682 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 67.5 t -51.3 -50.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.411 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.69 -49.31 68.31 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.81 50.56 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.663 -1.273 . . . . 0.0 111.835 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.68 -19.68 2.95 Favored Glycine 0 C--N 1.348 1.245 0 O-C-N 121.252 -0.905 . . . . 0.0 114.261 162.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.31 115.67 23.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 124.544 2.116 . . . . 0.0 115.063 -170.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -64.13 146.92 53.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.469 171.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.48 -34.48 0.35 Allowed 'General case' 0 C--N 1.349 0.586 0 N-CA-C 116.458 2.022 . . . . 0.0 116.458 171.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -76.44 -23.83 53.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.901 1.334 . . . . 0.0 112.672 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.62 -38.27 26.28 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.168 2.187 . . . . 0.0 109.531 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.37 71.89 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.828 -1.17 . . . . 0.0 112.146 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -48.58 -60.74 2.46 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.63 -38.38 42.48 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 C-N-CA 127.816 2.446 . . . . 0.0 114.62 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.26 -45.04 96.16 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.605 1.162 . . . . 0.0 110.948 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -52.37 64.6 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 161.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.46 -63.35 1.33 Allowed 'General case' 0 C--N 1.347 0.482 0 CA-C-N 122.305 2.32 . . . . 0.0 116.264 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -98.47 -38.11 9.32 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.275 1.43 . . . . 0.0 113.555 -167.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -82.89 -23.03 33.77 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.785 -1.197 . . . . 0.0 110.528 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 71.67 34.54 62.84 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 125.053 1.311 . . . . 0.0 115.56 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 35.8 mt -99.24 129.17 50.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 120.624 -1.515 . . . . 0.0 109.947 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.17 108.72 14.0 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.812 -1.18 . . . . 0.0 112.415 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 12.9 ptp -132.3 41.1 3.25 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.669 1.223 . . . . 0.0 108.615 165.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.39 37.6 3.5 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.142 1.377 . . . . 0.0 110.791 -168.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 t -137.78 -164.8 1.67 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.818 2.047 . . . . 0.0 107.893 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -64.74 111.05 2.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.007 1.723 . . . . 0.0 113.581 155.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.62 116.81 31.98 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 76.6 m -81.8 148.83 28.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.066 -1.646 . . . . 0.0 107.964 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 573' ' ' LEU . . . . . 0.532 HD23 ' H ' ' B' ' 573' ' ' LEU . 1.0 OUTLIER -55.68 -20.82 15.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.122 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -66.38 -36.08 81.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.651 1.18 . . . . 0.0 113.41 168.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.1 -41.09 74.49 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.624 1.57 . . . . 0.0 112.609 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.02 -42.74 83.51 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.602 1.191 . . . . 0.0 111.35 170.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.49 -54.12 38.48 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 124.504 1.049 . . . . 0.0 113.586 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 578' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' B' ' 578' ' ' LYS . 0.7 OUTLIER -66.09 -30.26 70.73 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 122.868 1.318 . . . . 0.0 111.003 -172.034 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.32 0.81 47.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.526 1.13 . . . . 0.0 113.041 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -59.08 2.91 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 119.168 -2.207 . . . . 0.0 109.969 160.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -40.91 -59.7 1.37 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 158.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.256 91.7 t -65.18 -57.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 O-C-N 120.025 -1.672 . . . . 0.0 113.171 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 17.9 m -54.63 -35.98 64.03 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -66.46 -39.36 88.79 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 119.047 -2.283 . . . . 0.0 111.697 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.73 -51.03 71.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 120.679 -1.263 . . . . 0.0 113.076 167.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -53.64 -40.09 65.53 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.44 -1.412 . . . . 0.0 112.807 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 O-C-N 120.3 -1.5 . . . . 0.0 112.439 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -74.8 -13.77 60.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 124.638 3.381 . . . . 0.0 111.356 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -70.1 -48.88 55.82 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.731 -1.856 . . . . 0.0 112.145 165.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 54.1 mt -47.97 -50.75 9.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.786 1.634 . . . . 0.0 113.89 163.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -53.4 -60.71 2.95 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.513 1.925 . . . . 0.0 113.488 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.07 -47.87 3.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.825 2.05 . . . . 0.0 115.828 167.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -67.66 -46.7 71.63 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 112.081 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 594' ' ' ALA . . . . . 0.445 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -58.63 -35.97 73.33 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.13 1.372 . . . . 0.0 114.121 175.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.33 -19.88 65.52 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.566 -1.334 . . . . 0.0 113.553 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.0 -29.78 19.24 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 120.171 -1.58 . . . . 0.0 108.176 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.71 -21.0 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 165.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.04 101.66 13.13 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 119.654 -1.904 . . . . 0.0 112.813 168.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -50.27 13.13 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 120.284 3.438 . . . . 0.0 120.284 156.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -81.83 145.76 54.58 Favored Pre-proline 0 C--N 1.344 0.346 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.725 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.66 167.48 27.02 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.459 2.106 . . . . 0.0 112.947 -170.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 49.2 m -91.9 164.57 13.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 123.156 1.455 . . . . 0.0 111.288 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.52 155.37 31.67 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 120.542 -1.349 . . . . 0.0 110.116 177.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 65.9 m -65.01 -27.55 68.9 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.11 -1.619 . . . . 0.0 114.1 -167.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 605' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 605' ' ' GLU . 3.9 mm-40 -63.14 -8.48 7.97 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 127.824 2.45 . . . . 0.0 116.233 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.7 67.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-O 124.463 2.077 . . . . 0.0 113.176 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 42.2 mt -83.87 121.11 26.9 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 119.596 -1.94 . . . . 0.0 110.624 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -135.71 -63.11 0.67 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 6.4 m -85.22 7.89 20.38 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 120.768 -1.208 . . . . 0.0 114.007 -167.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -93.06 -32.89 14.31 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 123.299 1.523 . . . . 0.0 110.564 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.25 94.25 9.85 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.784 1.233 . . . . 0.0 108.842 -173.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -106.67 -87.87 0.47 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.48 1.133 . . . . 0.0 108.344 -172.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.436 -1.15 0 C-N-CA 128.339 2.656 . . . . 0.0 109.056 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 N--CA 1.442 -0.846 0 CA-C-O 121.901 0.858 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.43 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -169.63 155.43 5.99 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.96 1.304 . . . . 0.0 107.843 168.614 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.472 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 21.4 m120 -97.88 -34.01 11.01 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.903 0.881 . . . . 0.0 110.592 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.83 -33.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 -168.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.14 -42.99 91.99 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.382 -1.449 . . . . 0.0 112.839 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -77.78 -39.29 44.54 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.053 -1.029 . . . . 0.0 111.175 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.6 -57.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 O-C-N 121.175 -0.953 . . . . 0.0 112.763 166.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -50.23 -46.71 54.92 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.504 -1.372 . . . . 0.0 114.02 171.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -49.43 -62.22 1.66 Allowed 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.654 1.581 . . . . 0.0 113.501 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -43.1 -53.7 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.153 2.581 . . . . 0.0 115.655 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -55.04 -53.02 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.768 1.227 . . . . 0.0 111.631 172.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -65.67 -42.98 90.69 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.411 -1.43 . . . . 0.0 113.207 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.54 -28.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 O-C-N 119.586 -1.946 . . . . 0.0 113.985 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -16.72 62.98 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 119.039 -2.288 . . . . 0.0 112.825 165.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -71.7 -41.95 67.97 Favored 'General case' 0 C--N 1.366 1.29 0 O-C-N 120.662 -1.274 . . . . 0.0 108.764 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -37.11 -61.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.431 0 C-N-CA 129.323 3.049 . . . . 0.0 113.912 163.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -51.21 -49.6 60.72 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 126.723 2.009 . . . . 0.0 112.111 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -59.42 -48.89 85.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 128.649 2.78 . . . . 0.0 113.491 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -78.59 -45.57 21.38 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 118.674 -2.516 . . . . 0.0 111.096 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -73.54 -54.56 7.93 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.368 1.467 . . . . 0.0 113.795 -173.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -105.85 -9.85 16.97 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.357 -0.839 . . . . 0.0 112.763 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.406 42.2 mtt180 62.46 -130.71 0.57 Allowed 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.967 0.907 . . . . 0.0 113.241 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -97.53 5.57 49.39 Favored 'General case' 0 CA--C 1.515 -0.387 0 O-C-N 119.787 -1.821 . . . . 0.0 111.601 -163.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.13 -68.39 0.3 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 129.696 3.199 . . . . 0.0 113.007 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.2 pt -84.62 -28.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 119.681 -1.887 . . . . 0.0 110.728 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.5 t -46.77 -38.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 127.651 2.38 . . . . 0.0 115.442 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -51.68 -48.78 63.33 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.142 1.448 . . . . 0.0 112.2 172.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -79.96 100.3 8.03 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.24 -145.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -59.68 -25.49 64.8 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -167.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.01 -55.51 4.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.981 -1.075 . . . . 0.0 110.989 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 -44.46 97.03 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.732 2.013 . . . . 0.0 111.93 -173.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.83 -44.17 81.78 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.404 -1.435 . . . . 0.0 114.665 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -83.58 -27.16 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 119.141 -2.224 . . . . 0.0 110.007 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.99 -29.82 70.95 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.106 -2.246 . . . . 0.0 112.941 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -42.31 99.67 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 125.638 1.575 . . . . 0.0 112.094 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.61 -38.9 89.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.019 1.728 . . . . 0.0 112.531 173.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -79.31 -33.33 43.34 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.432 -1.417 . . . . 0.0 113.6 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -57.4 2.02 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.549 2.339 . . . . 0.0 116.07 164.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.7 pt -84.2 -15.74 11.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 O-C-N 121.382 -0.824 . . . . 0.0 110.731 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.92 56.1 1.78 Allowed Glycine 0 CA--C 1.494 -1.226 0 O-C-N 121.191 -0.943 . . . . 0.0 112.61 165.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -84.9 130.25 36.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 CA-C-O 123.461 1.601 . . . . 0.0 108.509 170.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -127.72 150.86 49.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 129.748 3.219 . . . . 0.0 109.73 -163.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.472 ' CE1' ' HA ' ' A' ' 4' ' ' ASN . 55.8 t60 -147.4 137.77 23.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 119.78 -1.825 . . . . 0.0 108.769 163.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 54.84 35.03 23.32 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 120.298 -1.501 . . . . 0.0 113.529 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.61 -7.45 54.01 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.595 1.569 . . . . 0.0 113.614 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -96.83 157.38 15.93 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.892 1.277 . . . . 0.0 110.837 -174.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -94.66 129.47 41.53 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.262 0.5 OUTLIER -94.6 99.54 11.66 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 123.31 1.529 . . . . 0.0 114.258 -170.555 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.03 -173.22 3.46 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.245 -1.534 . . . . 0.0 111.193 166.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -45.18 -52.64 9.12 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 118.284 2.698 . . . . 0.0 118.284 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.23 -55.04 39.9 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.207 1.803 . . . . 0.0 113.719 174.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.585 -1.322 . . . . 0.0 113.136 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.582 1.553 . . . . 0.0 111.42 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.49 -37.71 68.36 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.76 -1.212 . . . . 0.0 111.007 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.86 -40.98 88.06 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 126.134 1.773 . . . . 0.0 114.222 -174.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 tt -70.69 -24.75 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 119.419 -2.051 . . . . 0.0 113.193 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.42 -40.55 13.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 127.311 2.244 . . . . 0.0 112.248 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.0 p -58.14 -45.51 87.26 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 165.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -90.53 77.12 6.51 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 121.113 1.778 . . . . 0.0 110.504 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mt -113.54 131.17 56.18 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.892 1.277 . . . . 0.0 112.621 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.2 m -64.9 127.93 33.65 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.34 1.456 . . . . 0.0 111.239 174.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.25 -54.48 13.46 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -174.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.73 -34.06 75.14 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -89.38 -30.68 18.2 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.55 -1.344 . . . . 0.0 111.351 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -40.63 82.4 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 118.883 -2.386 . . . . 0.0 113.257 165.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -68.84 -42.95 76.44 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.102 0.961 . . . . 0.0 111.677 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.8 m -43.71 -49.58 7.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.813 2.045 . . . . 0.0 114.632 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.13 -45.62 84.31 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 120.731 -1.231 . . . . 0.0 112.495 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.04 -59.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 169.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.17 -23.41 66.58 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -68.1 -80.37 0.04 OUTLIER 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.028 1.74 . . . . 0.0 111.803 170.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -124.83 104.81 8.82 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.018 -1.051 . . . . 0.0 108.512 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.99 -47.43 85.21 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -168.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.2 -44.96 33.31 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.48 -65.1 3.79 Favored Glycine 0 C--N 1.358 1.753 0 C-N-CA 125.642 1.591 . . . . 0.0 113.145 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.64 99.87 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.991 -1.299 . . . . 0.0 112.794 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.1 -40.47 64.16 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.43 30.71 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 120.976 -1.078 . . . . 0.0 113.548 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.08 -49.77 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 121.668 -0.901 . . . . 0.0 112.52 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -37.09 -61.02 0.59 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.314 1.846 . . . . 0.0 115.181 163.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -65.14 -50.62 65.31 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -70.7 -24.35 62.64 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.116 -1.615 . . . . 0.0 112.873 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.41 -48.77 76.45 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.495 1.518 . . . . 0.0 111.911 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.1 -46.02 65.71 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.352 -0.843 . . . . 0.0 113.058 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.9 ttp -70.19 -50.05 44.11 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -172.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -93.24 -58.78 2.2 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.755 -1.216 . . . . 0.0 112.805 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 2.4 t -88.75 91.31 8.77 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 124.438 2.066 . . . . 0.0 113.269 -169.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -77.32 151.62 34.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 119.832 -1.792 . . . . 0.0 111.506 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--N 1.362 1.136 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 172.011 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 56.8 t -66.1 -34.96 73.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.205 -1.559 . . . . 0.0 111.876 167.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.1 -72.95 0.16 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.505 -1.997 . . . . 0.0 111.015 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -14.76 -73.32 0.01 OUTLIER 'General case' 0 C--N 1.355 0.82 1 N-CA-C 122.019 4.081 . . . . 0.0 122.019 151.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 120.49 -38.64 2.66 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 124.025 0.822 . . . . 0.0 111.819 -169.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -82.35 128.61 34.39 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 124.037 1.875 . . . . 0.0 115.933 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.7 m -55.18 146.27 19.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 126.724 2.009 . . . . 0.0 113.196 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.59 58.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 118.102 -2.874 . . . . 0.0 114.035 169.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -56.96 -34.56 68.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 113.348 171.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -76.8 -34.51 57.93 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.121 1.768 . . . . 0.0 111.531 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.69 78.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.37 -1.456 . . . . 0.0 112.47 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -44.46 -60.51 1.92 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 165.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.75 -30.1 47.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 125.788 1.635 . . . . 0.0 114.671 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.2 -42.57 93.43 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.136 0.974 . . . . 0.0 110.84 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -62.0 -57.8 10.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 159.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 71.1 mtm -58.24 -61.97 2.18 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 123.519 2.872 . . . . 0.0 117.838 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -111.42 -10.14 14.21 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.87 -13.85 19.87 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.947 -1.096 . . . . 0.0 110.735 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.53 79.13 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 120.537 -1.352 . . . . 0.0 116.077 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 10.7 mt -97.66 123.54 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 118.815 1.308 . . . . 0.0 109.007 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.48 79.96 4.9 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 119.766 -1.834 . . . . 0.0 108.962 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 21.4 mtm -91.78 52.56 2.04 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 119.913 -1.742 . . . . 0.0 109.663 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -114.13 -34.25 5.42 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.473 -1.392 . . . . 0.0 112.674 -157.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 66.9 p -86.51 -161.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.193 0 O-C-N 120.913 -1.117 . . . . 0.0 109.597 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -59.17 120.06 8.5 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.892 1.677 . . . . 0.0 113.766 -174.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -122.41 95.51 4.67 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 171.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 162.14 27.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.979 1.312 . . . . 0.0 110.441 173.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 pp -58.98 -27.1 65.06 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.01 -2.307 . . . . 0.0 117.16 -171.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.59 -23.89 29.42 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 119.449 -2.032 . . . . 0.0 111.644 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -67.57 -31.82 72.16 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 119.831 -1.793 . . . . 0.0 111.201 168.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 23.3 t -57.96 -39.76 73.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 O-C-N 120.369 -1.457 . . . . 0.0 114.271 164.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.14 79.7 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 119.035 -2.291 . . . . 0.0 113.472 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.27 -39.92 92.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.119 2.168 . . . . 0.0 111.741 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.67 -35.11 73.79 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 119.715 -1.866 . . . . 0.0 112.788 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.32 -68.14 0.49 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.16 -0.963 . . . . 0.0 113.103 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -32.31 -59.84 0.29 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 160.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.63 -60.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.921 1.288 . . . . 0.0 113.048 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.6 m -45.33 -46.84 13.15 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 165.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -62.03 -47.38 85.02 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.233 -1.542 . . . . 0.0 110.345 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -55.68 -46.68 77.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 111.159 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -35.59 71.55 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.531 -1.355 . . . . 0.0 113.213 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.18 -39.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 119.791 -1.818 . . . . 0.0 113.028 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -75.04 -17.09 60.56 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 122.665 2.484 . . . . 0.0 108.766 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -72.83 -39.66 66.4 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.0 -2.313 . . . . 0.0 111.908 168.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 87.1 mt -54.2 -43.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 125.679 1.592 . . . . 0.0 113.124 170.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.31 -43.7 97.1 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.563 1.545 . . . . 0.0 112.565 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.34 62.68 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.461 1.504 . . . . 0.0 114.447 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -80.34 -54.76 5.42 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.565 -1.335 . . . . 0.0 108.372 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.07 -37.33 61.55 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.53 -1.08 25.55 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -98.76 -45.11 6.14 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 168.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -57.56 -38.97 75.66 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.422 -1.423 . . . . 0.0 114.214 171.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 15.4 tp -94.05 100.61 12.7 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 125.376 1.47 . . . . 0.0 110.417 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.77 -27.35 67.52 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -61.36 129.59 91.07 Favored Pre-proline 0 C--N 1.354 0.803 0 CA-C-N 119.837 1.199 . . . . 0.0 111.616 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.75 172.32 9.66 Favored 'Trans proline' 0 CA--C 1.515 -0.429 0 C-N-CA 121.943 1.762 . . . . 0.0 115.175 -174.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 88.1 p -75.72 154.05 36.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 122.944 1.354 . . . . 0.0 110.826 167.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -84.05 161.3 20.74 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.919 1.288 . . . . 0.0 109.122 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 5.1 t -98.38 14.31 28.49 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -151.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -53.99 157.81 2.35 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 127.066 2.146 . . . . 0.0 114.833 168.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.21 131.64 37.82 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 O-C-N 120.526 -1.359 . . . . 0.0 107.638 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.27 74.2 0.05 Allowed 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 116.821 2.156 . . . . 0.0 116.821 -164.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 80.1 mmt-85 -134.2 -85.53 0.42 Allowed 'General case' 0 C--N 1.353 0.741 0 O-C-N 118.883 -2.385 . . . . 0.0 112.494 -176.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 20.0 t -151.57 -96.46 0.06 Allowed 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.407 -1.433 . . . . 0.0 111.822 -176.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -91.08 71.42 6.33 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 123.162 1.458 . . . . 0.0 110.413 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.2 148.96 48.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.59 1.156 . . . . 0.0 109.607 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -136.55 138.01 40.84 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.718 1.207 . . . . 0.0 109.589 -174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 CA--C 1.564 1.482 0 O-C-N 120.037 -1.664 . . . . 0.0 109.889 166.162 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.4 m120 . . . . . 0 N--CA 1.437 -1.097 0 CA-C-O 122.269 1.033 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -87.05 173.22 9.42 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.853 -1.155 . . . . 0.0 113.084 177.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -82.06 -21.85 36.68 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.811 1.244 . . . . 0.0 109.948 171.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.48 -39.31 22.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 C-N-CA 126.66 1.984 . . . . 0.0 113.254 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.74 -55.86 1.42 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 127.777 2.431 . . . . 0.0 115.774 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 m -71.55 -45.12 63.2 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.427 -0.796 . . . . 0.0 111.294 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 t -54.22 -54.9 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.715 0.806 . . . . 0.0 112.128 175.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -50.47 -42.72 54.84 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 129.406 3.082 . . . . 0.0 114.927 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -55.15 -56.18 22.75 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.117 1.767 . . . . 0.0 111.745 169.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mm -52.51 -47.14 48.5 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 124.104 0.962 . . . . 0.0 113.375 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -58.49 -52.39 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.962 . . . . 0.0 111.07 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m -60.14 -45.34 93.38 Favored 'General case' 0 C--N 1.343 0.315 0 O-C-N 121.142 -0.974 . . . . 0.0 113.368 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.91 -22.17 11.02 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 O-C-N 120.594 -1.316 . . . . 0.0 112.701 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.94 58.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.463 -2.023 . . . . 0.0 112.488 168.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -73.39 -46.64 47.67 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.57 2.129 . . . . 0.0 107.745 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -32.89 -56.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 130.724 3.61 . . . . 0.0 115.159 156.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -48.95 -51.9 27.77 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 124.758 1.223 . . . . 0.0 113.22 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.07 -51.39 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 128.872 2.869 . . . . 0.0 109.763 -175.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -77.82 -40.93 38.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.291 -2.13 . . . . 0.0 110.107 -168.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.91 -62.91 1.43 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.036 0.935 . . . . 0.0 113.189 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 1.67 19.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 120.994 -1.066 . . . . 0.0 113.379 -172.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.332 64.5 mtt180 63.29 -119.69 0.54 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.665 1.186 . . . . 0.0 113.581 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -99.83 22.43 11.09 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 120.157 -1.589 . . . . 0.0 112.893 -172.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -59.65 -72.37 0.11 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.754 2.022 . . . . 0.0 113.263 173.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.47 -32.79 8.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.83 -1.168 . . . . 0.0 109.744 -172.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -44.02 -51.48 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 126.92 2.088 . . . . 0.0 113.695 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -47.0 -39.22 12.14 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -98.93 124.56 43.96 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.841 -1.162 . . . . 0.0 108.548 -157.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.42 -52.78 56.41 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -172.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.27 63.81 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.927 0.891 . . . . 0.0 113.205 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -56.1 -41.57 75.45 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.925 1.29 . . . . 0.0 112.133 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.56 -48.74 79.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.49 -1.381 . . . . 0.0 112.114 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -75.23 -36.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.363 1.165 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -169.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -48.72 -34.63 12.42 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 127.37 2.268 . . . . 0.0 115.631 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.23 -40.44 77.94 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.394 0.678 . . . . 0.0 111.359 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.87 -34.7 78.75 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.862 -1.149 . . . . 0.0 110.954 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.48 -59.47 3.96 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.555 -1.34 . . . . 0.0 111.792 171.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -35.63 -52.29 0.67 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 128.302 2.641 . . . . 0.0 118.077 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 0.2 OUTLIER -89.41 -15.62 8.79 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 119.562 -1.961 . . . . 0.0 113.875 177.398 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.03 55.39 2.52 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.254 -1.529 . . . . 0.0 113.955 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -92.92 144.12 10.03 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 167.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.9 p -145.44 169.91 17.4 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 120.047 -1.658 . . . . 0.0 110.487 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -138.12 136.52 36.8 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 168.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 57.42 23.01 8.52 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 124.014 1.864 . . . . 0.0 112.965 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.39 7.72 82.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 119.043 -2.286 . . . . 0.0 114.494 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -98.36 139.79 33.59 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.397 1.879 . . . . 0.0 109.771 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.97 148.34 36.36 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.927 -1.108 . . . . 0.0 108.813 173.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.88 87.26 5.34 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 119.721 -1.862 . . . . 0.0 115.875 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.81 170.89 12.67 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 147.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -59.02 -32.27 69.58 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -55.17 -53.89 50.29 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 125.755 1.622 . . . . 0.0 113.017 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -61.64 -51.13 69.75 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 121.584 -0.698 . . . . 0.0 111.738 171.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -55.4 -56.87 15.16 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.635 1.574 . . . . 0.0 114.192 -170.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -79.54 -26.49 41.44 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.804 -1.185 . . . . 0.0 111.432 -174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.0 -48.16 81.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.425 1.09 . . . . 0.0 112.461 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.8 pt -62.76 -33.44 60.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -72.43 -56.77 8.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 C-N-CA 127.535 2.334 . . . . 0.0 112.601 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.7 m -50.25 -63.73 1.03 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 127.088 2.155 . . . . 0.0 115.069 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -90.28 24.26 2.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 120.817 -1.177 . . . . 0.0 112.251 -163.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.3 151.41 47.12 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.868 -1.77 . . . . 0.0 111.009 158.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.78 171.07 15.0 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.797 1.639 . . . . 0.0 108.794 166.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -67.95 -47.91 67.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 119.96 -1.712 . . . . 0.0 115.145 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.1 -43.0 71.96 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.3 -1.5 . . . . 0.0 113.786 -173.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -35.05 -68.12 0.13 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.349 2.66 . . . . 0.0 116.912 156.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.31 75.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.219 -1.55 . . . . 0.0 114.149 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -74.01 -26.56 60.51 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 120.86 -1.15 . . . . 0.0 111.394 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -57.22 -41.21 79.07 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.023 -1.673 . . . . 0.0 112.624 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.98 -53.92 51.37 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.82 -1.175 . . . . 0.0 112.433 169.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -49.16 -54.87 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.596 1.558 . . . . 0.0 112.496 173.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.59 -36.43 66.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.252 -1.53 . . . . 0.0 114.51 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -79.8 -56.93 3.92 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 112.8 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -119.8 88.52 2.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -64.47 -64.18 0.94 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.017 -1.052 . . . . 0.0 110.055 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.65 -31.31 72.26 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.828 1.651 . . . . 0.0 111.857 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.13 -48.24 72.56 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 121.089 -1.007 . . . . 0.0 113.326 174.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.0 -47.95 55.89 Favored 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.699 -1.471 . . . . 0.0 111.354 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 125.103 1.361 . . . . 0.0 112.3 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.46 17.49 Favored Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.837 1.684 . . . . 0.0 115.279 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.84 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 120.08 1.94 . . . . 0.0 112.139 -168.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -15.73 -73.56 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 148.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -70.35 -44.65 67.72 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.084 -1.635 . . . . 0.0 113.501 -172.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.78 -47.03 82.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.438 1.017 . . . . 0.0 113.325 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -51.64 68.85 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.721 -1.237 . . . . 0.0 112.346 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.66 -9.78 58.91 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.947 -1.096 . . . . 0.0 113.209 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -81.07 -49.54 10.76 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.365 -1.46 . . . . 0.0 111.202 168.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.47 -54.89 16.34 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.746 1.218 . . . . 0.0 112.673 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.0 p -84.41 85.73 7.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.697 1.237 . . . . 0.0 111.56 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -70.54 151.88 44.58 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.232 -1.542 . . . . 0.0 111.859 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 C--N 1.357 0.912 0 O-C-N 120.193 -1.567 . . . . 0.0 112.576 -164.764 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.63 -46.7 72.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 C-N-CA 125.033 1.333 . . . . 0.0 113.592 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.38 -42.43 73.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.952 1.301 . . . . 0.0 114.008 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -83.44 -24.41 31.86 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.661 -1.274 . . . . 0.0 111.604 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 137.31 -30.54 2.61 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 120.321 -1.487 . . . . 0.0 113.795 162.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.85 138.61 32.45 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 121.11 -1.229 . . . . 0.0 113.843 -165.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 4.3 m -76.08 155.31 34.89 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 119.995 -1.691 . . . . 0.0 112.15 173.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -29.35 -47.02 0.06 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 158.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -73.56 -28.66 61.97 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.406 -2.059 . . . . 0.0 113.168 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.84 -34.66 51.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.31 2.244 . . . . 0.0 109.401 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.07 75.0 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.809 -1.182 . . . . 0.0 111.795 166.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.3 -37.89 86.46 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.057 -1.652 . . . . 0.0 110.67 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.06 -39.28 57.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 O-C-N 119.494 -2.004 . . . . 0.0 114.751 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.58 -47.06 77.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.308 1.443 . . . . 0.0 110.902 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -61.8 -42.94 99.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.042 1.737 . . . . 0.0 113.438 166.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 89.2 mtp -74.99 -66.85 0.71 Allowed 'General case' 0 CA--C 1.531 0.232 0 O-C-N 117.245 -3.41 . . . . 0.0 114.803 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -91.79 -41.3 10.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.831 -1.168 . . . . 0.0 111.947 -165.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -71.08 -24.95 62.42 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.488 -0.758 . . . . 0.0 111.222 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.18 29.32 56.74 Favored Glycine 0 C--N 1.346 1.106 0 O-C-N 121.143 -0.973 . . . . 0.0 115.483 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -101.91 126.75 55.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 118.966 1.383 . . . . 0.0 109.633 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -86.96 85.27 7.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.732 -1.23 . . . . 0.0 111.484 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -93.86 64.79 3.47 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.105 -1.622 . . . . 0.0 111.112 171.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -120.74 -20.24 7.08 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.411 -1.431 . . . . 0.0 112.705 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 55.0 p -97.14 -152.13 0.38 Allowed 'General case' 0 C--N 1.344 0.363 0 O-C-N 120.504 -1.373 . . . . 0.0 111.325 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.24 113.45 7.42 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.537 2.335 . . . . 0.0 112.011 -166.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -127.4 85.06 2.32 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.986 -1.071 . . . . 0.0 110.127 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.95 170.79 9.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.132 1.373 . . . . 0.0 111.915 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 41.2 tp -80.56 -23.51 39.88 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 119.028 -2.295 . . . . 0.0 111.644 -159.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.03 -41.97 73.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.283 -1.511 . . . . 0.0 111.317 164.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.42 -40.64 95.16 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 126.175 1.79 . . . . 0.0 113.857 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 88.2 t -55.77 -45.59 79.51 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 O-C-N 120.305 -1.497 . . . . 0.0 114.335 164.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.31 -36.94 93.77 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 120.151 -1.593 . . . . 0.0 112.747 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -77.82 -24.03 48.85 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.973 -1.31 . . . . 0.0 109.412 -172.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -76.29 -18.52 58.93 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.913 -1.742 . . . . 0.0 112.641 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -20.58 56.56 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.535 -1.978 . . . . 0.0 113.614 170.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -68.67 -72.41 0.18 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.428 1.091 . . . . 0.0 112.727 150.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.72 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 126.066 1.747 . . . . 0.0 113.686 -165.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 91.2 m -49.38 -32.52 11.65 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 167.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -69.36 -48.73 60.41 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 117.968 -2.957 . . . . 0.0 111.315 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -49.83 -43.61 48.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 125.909 1.683 . . . . 0.0 112.606 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -53.33 -43.94 68.04 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.103 1.361 . . . . 0.0 113.94 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.7 -43.42 87.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 120.623 -1.298 . . . . 0.0 111.152 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -19.68 61.14 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.74 -1.85 . . . . 0.0 109.893 -174.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -76.66 -37.5 56.13 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.445 1.498 . . . . 0.0 112.805 166.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.9 mt -57.74 -44.84 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 119.097 -2.252 . . . . 0.0 112.68 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.86 -55.08 29.92 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 130.178 3.391 . . . . 0.0 111.062 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -39.9 -40.89 1.08 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.98 17.6 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.392 -1.443 . . . . 0.0 112.104 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 594' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -55.48 -40.35 71.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 53.4 mt -64.47 -16.83 63.14 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 174.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -96.65 -33.95 11.57 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.282 1.433 . . . . 0.0 108.031 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 120.347 -1.47 . . . . 0.0 114.625 169.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.4 tt -91.82 100.2 12.93 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 123.097 1.427 . . . . 0.0 111.992 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -50.28 -66.83 0.32 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -83.18 148.93 57.48 Favored Pre-proline 0 C--N 1.346 0.427 0 O-C-N 120.216 -1.553 . . . . 0.0 113.734 -160.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -70.02 151.24 67.51 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 121.764 1.643 . . . . 0.0 114.984 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 84.1 p -166.92 -28.06 0.03 OUTLIER 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.44 1.496 . . . . 0.0 110.422 171.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -76.4 94.37 3.63 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 121.111 -0.993 . . . . 0.0 111.743 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 16.0 m -80.83 -24.54 38.37 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 123.685 0.794 . . . . 0.0 111.47 171.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.44 79.17 1.41 Allowed 'General case' 0 C--N 1.347 0.471 0 C-N-CA 125.52 1.528 . . . . 0.0 114.758 -171.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.08 121.91 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 167.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 92.5 mt -102.99 121.01 41.67 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.086 -2.259 . . . . 0.0 110.239 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -120.96 -53.03 2.07 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.674 -1.266 . . . . 0.0 112.696 -171.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 7.3 t -75.35 92.11 2.77 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -158.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 31.44 51.71 0.16 Allowed 'General case' 0 C--N 1.351 0.669 0 C-N-CA 129.293 3.037 . . . . 0.0 118.243 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.85 108.91 16.53 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 128.006 2.522 . . . . 0.0 112.382 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 14.8 t0 59.82 54.53 4.3 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.182 1.393 . . . . 0.0 114.046 167.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 6.5 p30 . . . . . 0 N--CA 1.44 -0.944 0 O-C-N 120.828 -1.17 . . . . 0.0 108.861 178.191 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.2 t30 . . . . . 0 N--CA 1.44 -0.949 0 CA-C-O 124.78 2.228 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -136.74 149.4 47.83 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 111.026 -2.806 . . . . 0.0 108.352 164.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -107.94 -52.03 2.82 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.992 -1.068 . . . . 0.0 108.57 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.9 tp -70.03 -12.09 15.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.553 -1.342 . . . . 0.0 112.775 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -86.48 1.22 52.26 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 118.668 -2.52 . . . . 0.0 112.346 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 m -103.91 -47.61 4.15 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.914 -2.624 . . . . 0.0 103.914 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.0 t -49.39 -51.12 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.711 1.604 . . . . 0.0 110.874 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.0 65.88 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.988 -1.695 . . . . 0.0 115.406 167.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.02 -64.35 0.86 Allowed 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.082 1.353 . . . . 0.0 113.08 171.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.5 mt -45.54 -47.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 126.986 2.114 . . . . 0.0 113.774 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -68.44 -37.78 78.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 O-C-N 121.626 -0.671 . . . . 0.0 110.735 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -58.25 -55.56 33.39 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.748 -1.22 . . . . 0.0 112.851 169.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.95 -43.42 97.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 123.095 1.426 . . . . 0.0 112.292 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -14.4 62.87 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.635 1.174 . . . . 0.0 113.027 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -70.1 -60.4 2.31 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-O 125.663 2.649 . . . . 0.0 106.991 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mt -27.49 -51.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.974 1 C-N-CA 133.161 4.584 . . . . 0.0 115.474 158.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -45.95 -51.01 14.07 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.252 1.421 . . . . 0.0 111.877 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.69 -50.5 33.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.596 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -50.94 -45.78 60.74 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -170.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.25 -52.43 3.82 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.279 1.432 . . . . 0.0 111.539 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.283 73.8 m -82.04 -34.97 29.25 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -171.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.495 26.1 mmt180 73.62 -126.58 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.064 2.546 . . . . 0.0 113.426 -154.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -98.99 12.65 35.34 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 118.468 -2.645 . . . . 0.0 115.8 -165.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -50.84 -50.64 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 172.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.05 -48.0 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.961 0.801 . . . . 0.0 110.295 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 27' ' ' VAL . 2.1 t -48.99 -52.34 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 C-N-CA 127.686 2.395 . . . . 0.0 116.518 -171.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -38.88 -43.39 0.94 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 127.3 45.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 119.86 1.209 . . . . 0.0 108.825 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -63.68 -44.56 93.34 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.91 1.284 . . . . 0.0 113.205 -172.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.95 -57.32 12.16 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.951 -1.093 . . . . 0.0 112.837 174.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -50.23 -40.47 47.69 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 126.48 1.912 . . . . 0.0 114.455 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.44 -52.43 53.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.409 1.883 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.73 -46.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -166.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.48 -20.3 1.8 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.451 2.701 . . . . 0.0 116.715 173.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -67.97 -38.19 82.46 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.891 1.277 . . . . 0.0 110.297 173.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.01 7.03 7.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.328 1.851 . . . . 0.0 111.967 170.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -103.76 -58.78 1.82 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -27.9 -51.96 0.08 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 118.904 2.927 . . . . 0.0 118.904 164.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.56 -5.35 9.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 124.511 1.124 . . . . 0.0 110.908 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.29 65.35 1.95 Allowed Glycine 0 C--N 1.352 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 115.625 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.0 t -101.18 120.36 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.9 p -120.67 169.73 10.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.828 1.299 . . . . 0.0 111.92 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -163.39 125.12 2.46 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 116.903 -1.522 . . . . 0.0 107.369 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.321 4.9 mm-40 76.92 -0.46 2.97 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-N 123.737 2.971 . . . . 0.0 112.468 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.08 3.37 38.99 Favored Glycine 0 C--N 1.34 0.755 0 C-N-CA 126.546 2.022 . . . . 0.0 112.596 173.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -110.66 146.02 36.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 121.463 -1.022 . . . . 0.0 110.516 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -73.75 125.72 28.75 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 158.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -78.24 92.63 4.5 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 123.113 1.435 . . . . 0.0 114.298 -168.292 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -75.2 -178.24 3.82 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.887 -1.133 . . . . 0.0 111.536 169.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -34.63 -63.91 0.28 Allowed 'General case' 0 C--N 1.352 0.703 0 C-N-CA 128.388 2.675 . . . . 0.0 116.8 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -43.09 -68.04 0.23 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.972 3.309 . . . . 0.0 115.058 166.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -36.07 83.16 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 125.168 1.387 . . . . 0.0 112.583 -166.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.24 -58.17 8.73 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 125.897 1.679 . . . . 0.0 112.956 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 -65.58 -33.55 76.17 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.221 -1.549 . . . . 0.0 113.271 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -57.52 -57.66 11.72 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.082 0.953 . . . . 0.0 113.349 171.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -40.59 87.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.871 -1.143 . . . . 0.0 112.155 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.05 -23.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 O-C-N 121.134 -0.979 . . . . 0.0 109.257 -172.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 t -79.53 -48.45 13.83 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 119.687 -1.883 . . . . 0.0 110.176 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -88.1 6.54 35.86 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -162.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -75.93 -179.29 4.78 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.597 -1.314 . . . . 0.0 114.094 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -89.73 150.57 22.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 122.958 1.361 . . . . 0.0 112.215 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -68.53 -43.41 76.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.122 2.169 . . . . 0.0 115.664 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.66 -57.47 5.12 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.043 -1.661 . . . . 0.0 112.987 -174.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -24.45 -51.08 0.03 OUTLIER 'General case' 0 C--N 1.347 0.491 0 N-CA-C 119.481 3.141 . . . . 0.0 119.481 157.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -88.49 -21.29 24.25 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.802 -1.811 . . . . 0.0 110.325 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -81.4 -33.31 32.33 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 122.396 1.093 . . . . 0.0 108.474 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.7 m -58.3 -46.05 86.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 125.95 1.7 . . . . 0.0 111.405 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.9 -32.06 63.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 164.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.8 mt -89.38 -35.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 -165.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.88 -39.59 92.47 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.972 1.309 . . . . 0.0 111.984 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -71.8 -55.28 7.87 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.571 -1.331 . . . . 0.0 112.514 170.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -119.42 96.12 5.08 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.183 -0.948 . . . . 0.0 112.651 -176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.55 -54.03 11.85 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.395 -1.441 . . . . 0.0 112.47 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.12 -36.16 83.13 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.953 -1.092 . . . . 0.0 111.857 173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -62.47 5.46 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.052 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -76.01 -59.71 2.64 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.599 -1.53 . . . . 0.0 112.231 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.01 -33.93 74.45 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.749 -1.845 . . . . 0.0 113.411 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.35 -49.02 46.43 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 121.32 1.873 . . . . 0.0 114.01 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.04 -50.74 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 O-C-N 120.89 -1.359 . . . . 0.0 113.264 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -45.62 -50.2 13.52 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.308 2.243 . . . . 0.0 116.234 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -63.5 -45.12 92.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.254 1.422 . . . . 0.0 110.473 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -69.53 -38.26 77.45 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.868 -1.145 . . . . 0.0 113.881 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.82 -44.77 96.19 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.326 -1.484 . . . . 0.0 112.442 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.71 1.604 . . . . 0.0 112.542 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.1 tpp -64.74 -55.39 20.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.038 1.335 . . . . 0.0 114.044 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -82.76 -35.76 26.31 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 113.605 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.87 97.87 10.68 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 120.887 -1.133 . . . . 0.0 109.441 -172.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -100.15 103.0 14.45 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 120.701 -1.249 . . . . 0.0 112.487 -166.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--N 1.355 0.845 0 C-N-CA 126.033 1.733 . . . . 0.0 113.932 177.83 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.26 49.3 p-10 . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.6 t -42.1 -44.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 113.598 154.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.04 -74.74 0.1 Allowed 'General case' 0 C--N 1.35 0.623 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.89 22.18 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.769 2.077 . . . . 0.0 114.114 -168.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.77 -15.49 14.14 Favored Glycine 0 C--N 1.359 1.817 0 CA-C-N 121.228 1.831 . . . . 0.0 114.832 166.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.11 132.82 34.66 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 124.669 2.176 . . . . 0.0 115.435 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.1 m -73.13 152.72 41.05 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 112.638 -2.073 . . . . 0.0 111.772 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.88 52.68 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.838 -1.789 . . . . 0.0 113.719 169.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.79 -38.03 89.58 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 123.034 1.397 . . . . 0.0 112.741 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -74.36 -40.64 62.0 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.406 1.882 . . . . 0.0 111.123 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.74 72.15 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.237 1.015 . . . . 0.0 112.996 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -45.27 -64.23 0.77 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.239 1.416 . . . . 0.0 113.346 163.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.81 -22.53 28.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -171.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.95 -44.91 91.53 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.494 1.117 . . . . 0.0 111.966 173.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -91.5 -0.53 57.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.336 -1.478 . . . . 0.0 114.484 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 75.9 mtm -87.7 -61.53 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 O-C-N 119.908 -1.745 . . . . 0.0 109.727 169.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -89.95 -57.87 2.71 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.628 1.171 . . . . 0.0 113.264 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -68.07 -25.53 65.39 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 112.399 -165.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.91 35.85 34.01 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 120.759 -1.213 . . . . 0.0 114.891 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.4 mt -109.3 124.38 65.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.346 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 170.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.01 138.25 34.93 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.058 0.943 . . . . 0.0 110.673 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.11 76.87 1.59 Allowed 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.353 -0.842 . . . . 0.0 110.227 171.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -124.69 57.56 1.26 Allowed 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.517 -1.365 . . . . 0.0 107.373 161.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.29 169.34 13.64 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.815 -1.178 . . . . 0.0 110.89 -170.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.6 128.36 35.47 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 127.799 2.44 . . . . 0.0 111.88 160.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -123.94 114.26 19.56 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.274 0.629 . . . . 0.0 111.269 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.0 p -86.52 -176.95 6.05 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 158.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -10.85 58.56 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.595 -1.316 . . . . 0.0 111.057 171.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -82.55 -35.41 27.23 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 120.271 -1.518 . . . . 0.0 109.286 173.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.68 -43.7 97.4 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 120.347 -1.471 . . . . 0.0 112.145 170.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.24 -41.23 18.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 120.698 -1.251 . . . . 0.0 113.675 167.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -67.09 -33.47 83.51 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 119.543 -1.973 . . . . 0.0 114.83 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -70.99 -37.75 72.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.434 2.294 . . . . 0.0 111.535 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.99 -29.14 70.59 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 119.185 -2.197 . . . . 0.0 112.693 168.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -51.99 22.85 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 125.566 1.546 . . . . 0.0 112.214 173.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -49.1 -38.21 23.94 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 167.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.17 -72.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.633 -0.667 . . . . 0.0 109.713 170.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.3 m -42.8 -54.28 4.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -64.92 -45.35 86.2 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 120.797 1.635 . . . . 0.0 110.393 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.24 -42.13 89.02 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -56.0 -35.96 67.38 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 119.687 -1.883 . . . . 0.0 113.492 171.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 27.4 mt -60.24 -34.73 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 O-C-N 120.022 -1.674 . . . . 0.0 112.126 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -77.64 -21.7 51.82 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 121.487 1.949 . . . . 0.0 109.775 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -65.95 -37.97 87.41 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 118.695 -2.503 . . . . 0.0 112.136 164.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.33 -47.27 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.582 -1.324 . . . . 0.0 113.161 166.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.79 -54.05 47.24 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 124.785 1.234 . . . . 0.0 111.067 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -49.88 -49.34 49.85 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.298 2.239 . . . . 0.0 113.591 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -69.65 -44.82 69.77 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.106 -0.996 . . . . 0.0 112.106 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.29 68.58 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.403 -1.435 . . . . 0.0 114.693 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 68.6 mt -75.8 -14.16 60.3 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.51 -1.369 . . . . 0.0 113.876 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -89.05 -37.76 14.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.916 2.087 . . . . 0.0 108.846 170.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.36 -22.44 66.8 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.1 mt -78.86 158.45 28.12 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.505 1.621 . . . . 0.0 112.296 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 -54.19 2.51 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 126.383 1.873 . . . . 0.0 109.017 -160.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -80.92 140.59 50.3 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 156.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.17 163.13 40.23 Favored 'Trans proline' 0 C--N 1.322 -0.836 0 CA-C-N 122.795 2.034 . . . . 0.0 109.976 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 81.0 p -98.71 -44.55 6.37 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.534 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.04 106.16 10.88 Favored 'General case' 0 C--N 1.37 1.47 0 CA-C-O 123.285 1.517 . . . . 0.0 107.793 -176.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 30.4 p -80.74 -57.25 3.64 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.877 2.071 . . . . 0.0 111.485 -169.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.88 155.81 39.98 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 124.439 1.096 . . . . 0.0 111.585 177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.11 116.6 11.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 O-C-N 120.366 -1.459 . . . . 0.0 109.719 169.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.11 -166.22 1.21 Allowed 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.754 -1.216 . . . . 0.0 109.558 171.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -69.22 -6.86 31.79 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.1 -1.625 . . . . 0.0 113.564 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 1.1 p -63.32 -35.47 80.47 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.392 -1.443 . . . . 0.0 114.867 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 12.4 m-30 -89.54 -7.53 54.69 Favored 'General case' 0 C--N 1.372 1.58 0 CA-C-N 120.555 1.525 . . . . 0.0 109.953 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 10.4 mp -78.37 160.86 27.56 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 123.077 1.418 . . . . 0.0 111.109 -176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 27.3 p30 -108.92 -136.22 0.36 Allowed 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.746 1.218 . . . . 0.0 111.572 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.439 -1.019 0 O-C-N 120.558 -1.338 . . . . 0.0 109.728 176.576 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 m120 . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -136.37 161.16 36.59 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.314 -1.491 . . . . 0.0 109.566 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.1 p30 -52.48 -27.93 18.26 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 171.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.49 -33.57 64.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.307 -1.496 . . . . 0.0 110.59 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.02 -43.82 94.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 127.17 2.188 . . . . 0.0 111.86 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -59.28 -47.42 85.43 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 125.315 1.446 . . . . 0.0 111.556 170.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.26 90.3 t -57.45 -49.53 79.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.832 1.253 . . . . 0.0 111.659 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -47.7 -44.75 27.89 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.186 -1.571 . . . . 0.0 114.489 167.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -61.51 -61.18 2.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.012 0.925 . . . . 0.0 112.39 170.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -42.63 -50.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 127.442 2.297 . . . . 0.0 113.664 176.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mm -65.3 -46.7 89.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.45 1.5 . . . . 0.0 111.545 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -62.94 -52.24 63.82 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.426 -1.421 . . . . 0.0 113.641 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.62 -32.23 51.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 O-C-N 120.286 -1.509 . . . . 0.0 112.135 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -20.98 61.17 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.922 -1.737 . . . . 0.0 113.058 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 m -70.33 -45.19 66.68 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 120.27 -1.518 . . . . 0.0 108.13 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.5 mt -37.03 -63.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 128.876 2.87 . . . . 0.0 114.232 160.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.1 mt -49.77 -47.24 51.13 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.62 1.676 . . . . 0.0 113.376 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.81 -57.77 10.53 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 128.771 2.828 . . . . 0.0 113.316 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.58 -45.48 71.92 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 118.47 -2.644 . . . . 0.0 110.98 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -73.59 -51.83 15.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.254 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -116.83 -11.52 10.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.011 -1.056 . . . . 0.0 113.468 -170.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.296 8.3 tpp180 48.46 -116.75 0.84 Allowed 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.771 2.028 . . . . 0.0 116.186 176.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -92.43 -2.68 56.12 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.987 -1.696 . . . . 0.0 112.251 -170.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.64 -55.66 21.79 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.44 1.496 . . . . 0.0 110.631 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 pt -87.93 -48.85 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 O-C-N 120.612 -1.305 . . . . 0.0 112.042 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.72 -44.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 128.541 2.736 . . . . 0.0 116.325 174.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.25 -28.91 20.51 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -90.27 96.14 10.52 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -170.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.43 73.15 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 119.391 -2.068 . . . . 0.0 114.745 -161.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.57 67.61 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.031 -1.668 . . . . 0.0 114.162 166.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -54.39 -43.28 71.28 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.212 1.405 . . . . 0.0 114.77 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -54.84 -49.81 70.16 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.158 0.983 . . . . 0.0 111.738 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.07 -37.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-O 122.763 1.268 . . . . 0.0 107.963 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.25 57.88 Favored 'General case' 0 C--N 1.364 1.214 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -33.06 74.25 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.886 1.274 . . . . 0.0 110.686 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -71.25 -40.82 70.77 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 122.68 1.228 . . . . 0.0 111.06 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -67.15 -37.98 84.72 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.344 -2.097 . . . . 0.0 112.763 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.98 -53.04 2.41 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.778 2.831 . . . . 0.0 114.834 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -15.98 7.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 58.61 2.11 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 119.261 -2.15 . . . . 0.0 115.447 171.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.61 126.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 48' ' ' LYS . 70.4 p -117.84 171.84 7.78 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 119.923 -1.735 . . . . 0.0 112.257 -176.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.55 149.46 35.89 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 166.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 60.2 0.17 0.28 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.49 -16.7 44.33 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 120.567 -1.333 . . . . 0.0 111.862 -172.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -98.2 141.47 31.07 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.993 0.917 . . . . 0.0 110.557 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HA ' HG22 ' A' ' 43' ' ' THR . 63.5 mttm -74.43 122.41 22.96 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 173.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.313 0.8 OUTLIER -74.63 82.87 2.05 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 123.654 1.693 . . . . 0.0 114.479 -164.281 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -71.91 170.97 12.62 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 120.853 -1.154 . . . . 0.0 110.189 168.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -42.02 -45.79 3.98 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 127.59 2.356 . . . . 0.0 116.833 -170.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -50.71 -64.12 0.91 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.322 1.849 . . . . 0.0 113.389 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.5 m -66.2 -32.78 74.42 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.553 -1.342 . . . . 0.0 113.076 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.09 -42.19 99.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.972 -1.08 . . . . 0.0 113.573 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -76.35 -30.44 57.61 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.132 -1.605 . . . . 0.0 110.385 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.48 -53.62 56.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 125.135 1.374 . . . . 0.0 113.855 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.53 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.44 -41.95 22.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 C-N-CA 127.882 2.473 . . . . 0.0 112.655 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.2 p -65.38 -28.77 69.5 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.137 -1.602 . . . . 0.0 114.842 167.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.62 -22.09 1.87 Allowed 'General case' 0 C--N 1.349 0.554 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 165.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.26 138.17 53.69 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.915 -1.74 . . . . 0.0 113.234 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.46 178.59 6.48 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.108 0.963 . . . . 0.0 108.961 173.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -62.89 -51.59 66.37 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 119.369 -2.082 . . . . 0.0 115.396 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.1 -59.31 3.57 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 122.721 1.248 . . . . 0.0 113.1 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.251 1.7 m-20 -11.86 -77.24 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.77 3.228 . . . . 0.0 118.144 147.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.63 -37.72 85.04 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.366 -1.459 . . . . 0.0 114.387 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 121.214 -0.929 . . . . 0.0 110.842 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.2 m -52.56 -47.51 66.74 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.036 2.135 . . . . 0.0 113.474 168.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.96 -42.34 73.31 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.829 -1.169 . . . . 0.0 111.994 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mt -48.12 -48.98 12.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 126.069 1.748 . . . . 0.0 112.35 165.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.59 74.8 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.538 -1.351 . . . . 0.0 114.107 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.57 -69.04 0.45 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.467 1.107 . . . . 0.0 113.176 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -119.68 96.27 5.12 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.225 -0.922 . . . . 0.0 111.652 -163.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -64.9 -58.98 4.72 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.632 1.173 . . . . 0.0 113.212 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.8 -34.44 77.82 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.663 -1.273 . . . . 0.0 112.09 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.1 -50.51 45.54 Favored Glycine 0 C--N 1.344 1.018 0 O-C-N 120.918 -1.114 . . . . 0.0 113.528 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -78.57 -63.02 1.5 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.864 -1.374 . . . . 0.0 111.797 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -62.88 -27.85 69.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.659 -1.276 . . . . 0.0 113.216 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.31 -56.37 20.49 Favored Glycine 0 C--N 1.348 1.221 0 O-C-N 121.435 -0.79 . . . . 0.0 113.038 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.88 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 CA-C-N 120.372 2.086 . . . . 0.0 112.169 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -44.05 -61.2 1.55 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 128.361 2.664 . . . . 0.0 113.788 162.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -58.83 -41.65 87.41 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.55 -41.41 75.94 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.904 -1.122 . . . . 0.0 111.501 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.1 tp -53.81 -59.27 4.84 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.649 1.58 . . . . 0.0 114.578 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.9 -20.31 61.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 121.267 -0.896 . . . . 0.0 112.298 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -71.51 -63.52 1.1 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.226 -0.921 . . . . 0.0 111.66 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -9.6 57.49 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -167.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -83.62 144.67 29.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.896 -1.752 . . . . 0.0 113.166 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.45 125.99 17.94 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.707 1.603 . . . . 0.0 114.925 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 N--CA 1.451 -0.418 0 O-C-N 120.912 -1.117 . . . . 0.0 109.969 173.83 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.11 -44.71 83.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 O-C-N 120.946 -1.096 . . . . 0.0 111.072 173.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.76 -56.51 20.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 549' ' ' ALA . . . . . 0.406 ' HB2' HG11 ' B' ' 576' ' ' VAL . . . -78.81 -25.0 44.2 Favored 'General case' 0 C--N 1.372 1.56 0 CA-C-N 122.244 2.293 . . . . 0.0 112.579 -172.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 115.36 -11.15 19.5 Favored Glycine 0 CA--C 1.496 -1.129 0 O-C-N 120.962 -1.086 . . . . 0.0 113.603 166.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.97 131.81 34.43 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 123.896 1.808 . . . . 0.0 113.898 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 78.2 p -74.96 165.05 25.88 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 122.537 1.161 . . . . 0.0 111.272 170.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.52 39.85 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.319 1.447 . . . . 0.0 113.719 171.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -74.2 -39.01 63.44 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 127.352 2.261 . . . . 0.0 111.316 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -75.42 -29.64 59.81 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 0.0 109.578 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.94 -37.54 61.97 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.341 -1.474 . . . . 0.0 113.116 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -46.07 -66.76 0.36 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.94 2.096 . . . . 0.0 112.363 167.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 558' ' ' VAL . . . . . 0.455 ' HA ' ' HB2' ' B' ' 561' ' ' MET . 97.8 t -54.06 -30.02 19.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.903 2.081 . . . . 0.0 114.725 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.83 -39.55 87.69 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.194 -1.566 . . . . 0.0 113.149 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -70.94 -60.36 2.28 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 119.803 -1.811 . . . . 0.0 110.588 164.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' B' ' 558' ' ' VAL . 0.2 OUTLIER -39.14 -52.24 1.9 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 178.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -108.03 -41.33 4.97 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.625 1.17 . . . . 0.0 112.265 -172.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -95.49 -13.01 24.9 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.361 -0.837 . . . . 0.0 111.227 -169.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 67.52 29.32 73.93 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 120.164 -1.585 . . . . 0.0 115.162 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.19 125.12 67.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 124.506 1.123 . . . . 0.0 108.386 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.23 100.22 10.72 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.684 -1.26 . . . . 0.0 110.533 -177.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.6 mtm -96.66 -4.73 40.41 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.902 -1.124 . . . . 0.0 112.273 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.96 54.75 0.0 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 119.67 3.211 . . . . 0.0 119.67 167.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 569' ' ' THR . . . . . 0.457 HG22 ' H ' ' B' ' 570' ' ' ASP . 0.8 OUTLIER -128.04 -175.59 3.54 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 118.562 -2.586 . . . . 0.0 108.867 -176.243 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 570' ' ' ASP . . . . . 0.457 ' H ' HG22 ' B' ' 569' ' ' THR . 28.4 t70 -74.24 114.79 13.01 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 159.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.89 97.56 5.41 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.582 1.182 . . . . 0.0 109.473 -168.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.12 161.8 30.37 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.311 1.444 . . . . 0.0 111.253 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.37 -27.47 56.42 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.162 -2.211 . . . . 0.0 111.786 -164.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.55 -45.22 95.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.347 1.859 . . . . 0.0 111.928 165.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.21 -30.59 70.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.583 2.353 . . . . 0.0 114.516 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 576' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' B' ' 549' ' ' ALA . 75.5 t -51.42 -40.57 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 O-C-N 120.563 -1.336 . . . . 0.0 114.302 164.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.16 88.11 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.431 -2.043 . . . . 0.0 113.703 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.1 -44.5 88.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 130.164 3.386 . . . . 0.0 111.529 170.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -24.32 65.25 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 118.994 -2.316 . . . . 0.0 113.636 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -54.68 11.08 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.714 -1.241 . . . . 0.0 111.632 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.95 -56.7 3.17 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 164.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.51 -62.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 124.548 1.139 . . . . 0.0 111.565 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 22.5 m -41.8 -49.27 4.39 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 166.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -69.99 -43.36 71.59 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 120.633 1.561 . . . . 0.0 110.583 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -54.79 -47.78 73.55 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.866 1.266 . . . . 0.0 111.901 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.24 -31.11 71.63 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.785 -1.197 . . . . 0.0 111.603 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.27 95.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.32 -2.113 . . . . 0.0 112.452 170.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -73.7 -20.07 60.64 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-N 123.598 2.908 . . . . 0.0 108.673 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -66.73 -37.14 84.07 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.683 -1.886 . . . . 0.0 113.914 162.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.06 -44.61 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.401 1.48 . . . . 0.0 114.612 167.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -47.48 -54.18 12.2 Favored 'General case' 0 C--N 1.364 1.227 0 C-N-CA 126.345 1.858 . . . . 0.0 110.248 176.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.07 -43.93 20.56 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 127.622 2.369 . . . . 0.0 114.464 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -81.7 -26.66 34.46 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.78 -1.2 . . . . 0.0 111.309 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.73 -34.05 46.18 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.777 -1.202 . . . . 0.0 111.199 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.27 5.46 3.56 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.291 -1.506 . . . . 0.0 113.556 168.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -107.31 -20.95 13.11 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 126.554 1.942 . . . . 0.0 110.392 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -70.56 -26.0 63.35 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 118.663 -2.523 . . . . 0.0 113.461 158.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.43 159.7 19.9 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.412 1.577 . . . . 0.0 112.71 164.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -154.88 -47.35 0.09 Allowed 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 126.69 1.996 . . . . 0.0 107.463 -162.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -72.47 124.4 90.74 Favored Pre-proline 0 C--N 1.352 0.705 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 157.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -67.77 156.89 64.19 Favored 'Trans proline' 0 CA--C 1.512 -0.585 0 CA-C-N 123.842 2.408 . . . . 0.0 115.553 -163.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 17.2 t -83.57 -61.98 1.7 Allowed 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 163.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -111.56 134.19 53.31 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 122.006 0.908 . . . . 0.0 110.488 -174.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 73.2 m -79.71 -49.1 12.57 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.31 1.044 . . . . 0.0 110.156 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.52 66.89 9.15 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 122.956 1.36 . . . . 0.0 111.795 -169.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.5 118.66 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 125.019 1.328 . . . . 0.0 108.504 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.63 -175.51 3.29 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.164 0.985 . . . . 0.0 108.672 -176.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -117.11 -121.82 0.3 Allowed 'General case' 0 C--N 1.345 0.376 0 O-C-N 120.145 -1.597 . . . . 0.0 110.905 -167.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 14.6 m -103.39 -13.25 16.73 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.848 1.659 . . . . 0.0 112.976 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -92.91 -31.71 14.85 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -111.62 90.08 3.24 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 119.921 -1.737 . . . . 0.0 107.726 -170.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 41.2 t0 53.06 122.38 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.853 2.061 . . . . 0.0 116.191 -162.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 CA--C 1.558 1.281 0 C-N-CA 128.744 2.818 . . . . 0.0 114.664 -162.007 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 CA--C 1.507 -0.695 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -132.46 178.19 7.02 Favored 'General case' 0 C--N 1.345 0.372 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 163.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.68 -53.35 7.24 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.616 -1.302 . . . . 0.0 110.364 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.07 -25.09 35.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.5 -41.78 96.24 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 118.892 -2.38 . . . . 0.0 114.267 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.7 m -60.59 -40.6 92.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.624 -1.923 . . . . 0.0 110.75 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -57.08 -54.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 125.404 1.482 . . . . 0.0 111.887 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -48.77 -49.12 40.09 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.332 1.853 . . . . 0.0 113.605 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.62 -56.18 25.54 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.965 0.906 . . . . 0.0 112.505 174.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -45.66 -52.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.96 1.704 . . . . 0.0 114.726 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 27.6 pt -68.61 -42.66 83.52 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 O-C-N 120.868 -1.145 . . . . 0.0 111.81 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.3 m -60.74 -46.29 91.0 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.046 1.338 . . . . 0.0 112.499 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.18 -30.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 O-C-N 119.826 -1.796 . . . . 0.0 111.818 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.68 -22.06 54.5 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 120.017 -1.677 . . . . 0.0 114.519 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -70.9 -47.27 60.05 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.877 -1.764 . . . . 0.0 108.949 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -32.3 -52.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 129.413 3.085 . . . . 0.0 116.734 156.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.1 mt -48.61 -54.8 13.2 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 120.239 1.382 . . . . 0.0 111.856 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.9 mm -64.59 -38.67 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 127.881 2.472 . . . . 0.0 111.281 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -59.7 3.23 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 123.848 1.785 . . . . 0.0 110.465 -176.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -81.31 -59.13 2.75 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.624 2.37 . . . . 0.0 112.67 -163.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -107.41 -2.36 20.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.036 -1.04 . . . . 0.0 111.332 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.309 32.4 mtm180 63.4 -127.8 0.52 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.685 1.594 . . . . 0.0 114.614 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -93.95 -6.18 46.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.199 -1.563 . . . . 0.0 112.961 -167.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.67 -48.2 80.33 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 pt -83.12 -40.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.407 1.083 . . . . 0.0 111.198 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.94 -42.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 128.85 2.86 . . . . 0.0 114.443 163.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -56.96 -36.24 70.06 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.048 1.739 . . . . 0.0 114.369 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -86.32 89.44 7.86 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -71.42 -21.23 62.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.445 -2.034 . . . . 0.0 115.607 -157.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -54.72 22.73 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.043 0.937 . . . . 0.0 113.089 164.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.04 -41.2 62.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 126.921 2.088 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.56 -52.13 64.77 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.57 1.148 . . . . 0.0 112.377 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.43 -44.6 79.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 CA-C-O 122.215 1.007 . . . . 0.0 108.584 -171.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -52.24 -22.86 4.81 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 128.289 2.635 . . . . 0.0 116.961 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -41.17 67.82 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.982 0.913 . . . . 0.0 110.318 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.17 -44.37 92.27 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.144 0.973 . . . . 0.0 109.91 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.15 -52.55 64.84 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.046 1.339 . . . . 0.0 113.114 175.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -39.33 -55.7 1.68 Allowed 'General case' 0 C--N 1.35 0.621 0 C-N-CA 127.617 2.367 . . . . 0.0 116.151 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 pt -87.39 -21.58 7.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 O-C-N 120.91 -1.119 . . . . 0.0 112.214 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.71 37.0 4.35 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 120.105 -1.622 . . . . 0.0 114.475 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.67 106.76 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -124.96 -178.91 4.33 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.085 -1.009 . . . . 0.0 109.483 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -142.95 129.46 20.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 174.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 48.3 29.26 1.86 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.27 -8.36 77.52 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 126.044 1.783 . . . . 0.0 113.702 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -99.65 137.65 37.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.545 -1.562 . . . . 0.0 110.514 -172.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -84.08 124.83 31.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.065 -1.022 . . . . 0.0 109.233 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 99.34 11.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 -158.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -63.26 179.69 0.4 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 125.757 1.623 . . . . 0.0 113.485 162.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -63.05 -39.54 95.05 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.808 -1.182 . . . . 0.0 113.001 -170.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -52.2 -59.93 3.81 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.944 1.698 . . . . 0.0 114.442 164.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -66.76 -34.79 78.62 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.595 -1.316 . . . . 0.0 113.021 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.21 -51.97 66.75 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.629 1.572 . . . . 0.0 110.696 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -69.62 -26.28 64.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.55 -1.344 . . . . 0.0 112.923 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.23 89.84 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 119.949 -1.72 . . . . 0.0 112.337 166.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -33.85 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 120.838 -1.164 . . . . 0.0 113.035 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.99 -41.84 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.033 2.133 . . . . 0.0 112.946 166.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -59.21 -51.1 71.43 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.268 -2.145 . . . . 0.0 115.275 173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.1 -29.51 60.72 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 128.304 2.641 . . . . 0.0 118.046 -172.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.18 147.87 31.12 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.826 -1.171 . . . . 0.0 113.285 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -76.36 179.47 5.8 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 123.23 1.49 . . . . 0.0 113.212 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -68.39 -40.08 81.49 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.603 -1.311 . . . . 0.0 111.977 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -59.28 -62.81 1.61 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.391 1.476 . . . . 0.0 113.22 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.309 88.2 m-20 -33.68 -63.37 0.26 Allowed 'General case' 0 C--N 1.349 0.552 0 C-N-CA 128.503 2.721 . . . . 0.0 116.377 168.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -43.91 -60.51 1.8 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.87 3.268 . . . . 0.0 115.505 169.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -75.53 -29.77 59.55 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.239 -0.913 . . . . 0.0 110.685 -172.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.7 m -56.23 -45.4 79.98 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 126.528 1.931 . . . . 0.0 113.376 166.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.7 -48.92 67.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.388 -1.445 . . . . 0.0 113.437 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.3 mt -52.6 -47.51 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 112.195 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -72.7 -16.57 61.68 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 119.898 -1.751 . . . . 0.0 114.253 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.99 -65.27 0.9 Allowed 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.567 -1.333 . . . . 0.0 110.471 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -127.47 99.18 5.51 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.9 -58.02 4.01 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.421 1.105 . . . . 0.0 109.926 -168.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -70.31 -32.73 70.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.096 2.158 . . . . 0.0 112.282 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.95 -56.62 21.48 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 125.078 1.323 . . . . 0.0 113.41 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -64.02 -39.13 93.41 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.853 -1.381 . . . . 0.0 111.413 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -52.9 -49.71 65.35 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 114.184 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.54 96.11 Favored Glycine 0 C--N 1.355 1.611 0 O-C-N 120.344 -1.472 . . . . 0.0 113.553 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.83 -49.67 82.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 O-C-N 121.698 -0.883 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -46.72 -66.73 0.36 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 163.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -71.68 -25.41 62.09 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -167.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -81.78 -38.93 24.85 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.564 -1.335 . . . . 0.0 110.76 171.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.35 -48.58 80.65 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.256 -1.528 . . . . 0.0 113.216 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -60.26 -38.79 84.58 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.719 -1.238 . . . . 0.0 114.185 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -78.47 -43.2 27.67 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.708 0.803 . . . . 0.0 112.407 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -81.01 -32.44 34.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.751 -1.218 . . . . 0.0 113.951 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -66.98 117.79 9.54 Favored 'General case' 0 C--N 1.359 0.997 0 O-C-N 119.856 -1.778 . . . . 0.0 113.188 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -42.42 97.26 0.01 OUTLIER 'General case' 0 C--N 1.358 0.97 0 C-N-CA 127.182 2.193 . . . . 0.0 116.68 -170.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 125.675 1.59 . . . . 0.0 114.772 -179.668 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 119.704 -0.189 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 85.7 t -61.49 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.398 -1.439 . . . . 0.0 112.277 172.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 47.1 mt -58.46 -46.63 86.19 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -86.49 -32.15 20.93 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 120.203 1.365 . . . . 0.0 112.001 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 121.55 -18.92 8.64 Favored Glycine 0 CA--C 1.494 -1.219 0 O-C-N 120.629 -1.294 . . . . 0.0 112.101 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.271 0.8 OUTLIER -79.26 135.85 36.88 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 124.498 2.094 . . . . 0.0 116.3 -167.317 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 82.4 p -88.02 169.72 11.73 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.898 -167.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.52 64.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.69 -1.257 . . . . 0.0 112.259 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -72.06 -50.22 30.19 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.479 -1.388 . . . . 0.0 109.556 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -58.12 -53.22 60.75 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.862 2.865 . . . . 0.0 113.315 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.43 -18.65 63.75 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.118 -0.989 . . . . 0.0 112.655 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -79.83 -44.21 20.97 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 120.158 -1.589 . . . . 0.0 109.546 170.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 9.1 t -55.34 -33.37 31.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 O-C-N 120.133 -1.604 . . . . 0.0 114.558 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.31 -53.69 52.97 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 126.256 1.822 . . . . 0.0 112.299 173.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -82.46 -12.51 57.8 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 96.3 mtp -73.86 -68.53 0.51 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 118.961 -2.337 . . . . 0.0 113.273 162.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -95.9 -42.93 8.06 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 126.105 1.762 . . . . 0.0 113.044 -160.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.67 -15.15 59.88 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 121.85 -0.531 . . . . 0.0 111.012 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 81.64 24.37 56.22 Favored Glycine 0 CA--C 1.485 -1.806 0 O-C-N 121.152 -0.968 . . . . 0.0 114.443 170.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.59 110.62 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.055 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -81.78 96.67 7.66 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.2 ptp -107.53 70.27 0.77 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 122.778 1.275 . . . . 0.0 110.493 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.86 41.4 3.37 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.273 -1.517 . . . . 0.0 111.336 -167.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 17.4 p -133.68 -178.64 5.1 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.761 -1.212 . . . . 0.0 110.69 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -59.62 71.42 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.981 2.512 . . . . 0.0 115.63 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -71.71 110.73 6.45 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.6 p -88.11 164.12 15.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.634 1.574 . . . . 0.0 110.774 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.35 -26.25 62.92 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.94 -41.05 87.65 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.175 -2.203 . . . . 0.0 113.265 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -71.16 -27.76 63.77 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.229 1.411 . . . . 0.0 111.805 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 576' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' B' ' 579' ' ' GLN . 57.6 t -61.02 -39.43 82.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 119.289 -2.132 . . . . 0.0 112.332 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -66.43 -40.34 94.4 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 119.69 -1.881 . . . . 0.0 114.569 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -54.6 -44.46 73.09 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.586 1.954 . . . . 0.0 115.075 163.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 579' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' B' ' 576' ' ' VAL 0.256 3.5 pt20 -70.47 -33.85 71.73 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 122.682 2.492 . . . . 0.0 112.72 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -34.18 77.43 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 120.176 -1.577 . . . . 0.0 114.845 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.74 -74.21 0.07 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.196 1.398 . . . . 0.0 113.116 161.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.79 -60.34 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 128.143 2.577 . . . . 0.0 111.381 -168.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -36.17 64.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 171.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -75.36 -46.97 29.8 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 118.733 -2.479 . . . . 0.0 109.068 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -51.18 -26.32 6.72 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.936 2.094 . . . . 0.0 114.19 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -70.3 -23.85 62.92 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.757 -1.214 . . . . 0.0 111.925 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 60.9 mt -76.27 -39.29 34.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 119.356 -2.09 . . . . 0.0 112.474 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.97 -48.1 0.39 Allowed 'General case' 0 C--N 1.344 0.365 0 N-CA-C 118.062 2.616 . . . . 0.0 118.062 147.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -80.35 -36.22 34.42 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.666 -1.271 . . . . 0.0 113.269 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.3 mt -55.76 -47.9 78.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 126.789 2.036 . . . . 0.0 113.728 167.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -36.19 74.53 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 121.812 0.815 . . . . 0.0 111.743 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.1 95.24 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.574 1.549 . . . . 0.0 112.267 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -67.03 -53.47 30.89 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.652 1.215 . . . . 0.0 110.62 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 594' ' ' ALA . . . . . 0.494 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -59.61 -31.62 69.65 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.27 -0.84 51.4 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 173.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -83.7 -37.01 23.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.014 -1.679 . . . . 0.0 108.872 160.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -76.58 -28.93 56.38 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.114 -2.241 . . . . 0.0 115.819 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.52 100.85 13.53 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.003 -1.686 . . . . 0.0 110.445 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -84.12 -3.35 58.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -170.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.39 128.85 57.72 Favored Pre-proline 0 C--N 1.349 0.574 0 O-C-N 119.388 -2.07 . . . . 0.0 112.5 176.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -67.93 118.66 5.77 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 121.805 1.67 . . . . 0.0 114.853 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 t -69.24 143.32 53.97 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.689 0.795 . . . . 0.0 111.809 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -85.96 151.82 23.43 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.462 -0.774 . . . . 0.0 110.436 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 50.3 m -78.65 -15.46 58.47 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.145 -1.597 . . . . 0.0 113.959 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -74.87 112.63 11.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.516 -1.365 . . . . 0.0 112.964 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 5.5 p -93.71 128.64 44.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-O 122.251 1.024 . . . . 0.0 109.093 171.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 77.8 mt -102.79 141.74 35.1 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.188 1.395 . . . . 0.0 108.884 176.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -166.42 -87.22 0.02 OUTLIER 'General case' 0 C--N 1.353 0.734 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 13.3 t -132.16 -114.44 0.23 Allowed 'General case' 0 C--N 1.358 0.975 0 O-C-N 119.72 -1.862 . . . . 0.0 111.677 163.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -85.59 42.34 0.95 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.044 -1.66 . . . . 0.0 114.014 -159.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.91 18.71 17.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 118.392 -2.693 . . . . 0.0 110.548 -171.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -57.55 -35.34 70.2 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -172.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 45.2 t0 . . . . . 0 CA--C 1.553 1.08 0 C-N-CA 124.646 1.178 . . . . 0.0 110.377 176.562 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.442 -0.862 0 CA-C-O 122.605 1.193 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -88.1 141.25 28.72 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.02 -171.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -100.91 -58.53 1.87 Allowed 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.626 1.17 . . . . 0.0 109.726 171.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tp -61.81 -31.82 52.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 124.927 1.291 . . . . 0.0 114.372 -165.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.22 -46.12 62.15 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.605 1.962 . . . . 0.0 114.128 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -70.55 -40.37 73.44 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 111.47 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.24 -48.06 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.407 -0.808 . . . . 0.0 111.783 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -52.53 -36.69 56.02 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.535 1.534 . . . . 0.0 114.116 167.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' CD ' HH21 ' B' ' 562' ' ' ARG . 7.0 tp10 -64.26 -60.49 3.13 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.058 0.943 . . . . 0.0 111.235 173.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -47.94 -49.17 11.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 127.421 2.289 . . . . 0.0 113.243 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 tp -64.35 -46.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 120.93 -1.106 . . . . 0.0 112.689 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 m -63.98 -47.16 81.49 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.307 -1.496 . . . . 0.0 112.97 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.97 -27.95 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.775 -1.203 . . . . 0.0 112.372 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.67 58.95 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 119.141 -2.225 . . . . 0.0 113.157 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 t -69.61 -48.89 58.48 Favored 'General case' 0 C--N 1.367 1.327 0 CA-C-O 123.211 1.481 . . . . 0.0 107.093 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.4 mt -35.42 -59.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 128.536 2.734 . . . . 0.0 115.093 161.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.51 -47.58 48.65 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 123.02 1.39 . . . . 0.0 112.453 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 mm -63.43 -62.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 C-N-CA 126.751 2.02 . . . . 0.0 111.931 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -70.78 -23.68 62.44 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.727 -1.858 . . . . 0.0 111.835 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -84.35 -64.49 1.15 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.432 1.093 . . . . 0.0 111.445 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -113.83 -5.69 13.25 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -162.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.284 1.4 tpp85 55.74 -127.61 2.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 169.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -91.02 -12.03 37.06 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 119.947 -1.721 . . . . 0.0 111.375 -165.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -64.68 -48.55 74.34 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.26 1.024 . . . . 0.0 111.868 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 pt -85.2 -45.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 121.388 -0.82 . . . . 0.0 112.58 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.39 -32.95 46.49 Favored 'Isoleucine or valine' 0 C--N 1.365 1.24 0 CA-C-O 123.451 1.596 . . . . 0.0 112.803 -160.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -43.69 -45.53 7.04 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 130.517 3.527 . . . . 0.0 114.391 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -67.77 119.54 12.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.528 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mmt-85 -61.99 -49.34 76.48 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -171.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.37 -34.0 55.14 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 121.018 -1.051 . . . . 0.0 113.763 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -62.07 -36.12 80.71 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -61.6 -63.79 1.16 Allowed 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.177 -1.577 . . . . 0.0 113.541 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -22.6 -63.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.616 2.767 . . . . 0.0 114.775 145.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.15 81.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 118.865 -2.397 . . . . 0.0 116.22 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.23 -42.81 93.02 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 125.179 1.392 . . . . 0.0 110.62 175.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.69 -38.1 77.51 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.929 -1.107 . . . . 0.0 112.387 173.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.66 -47.14 67.29 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.452 -1.405 . . . . 0.0 111.672 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -49.03 -56.25 9.54 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.43 -9.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.187 -1.571 . . . . 0.0 110.267 175.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.57 62.34 1.79 Allowed Glycine 0 CA--C 1.486 -1.748 0 O-C-N 121.383 -0.823 . . . . 0.0 114.167 158.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -89.43 129.53 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-O 124.678 2.18 . . . . 0.0 109.161 170.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -110.33 138.47 46.68 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 128.233 2.613 . . . . 0.0 109.34 -165.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -159.22 160.45 35.38 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 164.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 58.1 21.3 7.78 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 124.231 1.967 . . . . 0.0 113.608 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.56 3.05 90.12 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 126.571 2.034 . . . . 0.0 112.622 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -117.0 162.19 18.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.01 1.724 . . . . 0.0 109.289 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.642 ' H ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -79.29 132.32 36.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 153.174 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.393 4.0 pp -71.87 103.37 3.14 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 -161.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -85.15 -168.48 2.24 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 119.886 -1.759 . . . . 0.0 112.644 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.88 -42.34 93.53 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -163.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.28 -50.49 46.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 122.496 1.141 . . . . 0.0 112.135 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 m -63.85 -34.57 78.22 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.312 1.845 . . . . 0.0 113.134 -171.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.371 2.268 . . . . 0.0 112.092 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 120.403 -1.435 . . . . 0.0 112.023 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -53.46 -54.64 34.13 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.576 1.951 . . . . 0.0 112.887 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -32.36 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 119.993 -1.692 . . . . 0.0 112.956 -170.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.58 -23.98 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 125.763 1.625 . . . . 0.0 112.826 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 m -67.79 -43.01 80.73 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 119.469 -2.019 . . . . 0.0 114.131 161.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.21 -20.6 62.98 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 120.349 3.462 . . . . 0.0 120.349 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.32 144.95 37.68 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 119.448 -2.032 . . . . 0.0 112.04 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.6 p -74.47 174.15 9.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.278 -1.514 . . . . 0.0 113.901 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.91 -37.82 85.07 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 120.069 -1.645 . . . . 0.0 113.175 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.83 -51.11 69.58 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.761 -1.837 . . . . 0.0 113.787 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 3.2 m-20 -48.96 -55.0 13.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 125.671 2.653 . . . . 0.0 113.586 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -56.18 -51.56 67.59 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.722 2.809 . . . . 0.0 113.82 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -71.39 -35.28 71.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -174.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 m -52.0 -39.16 59.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.958 1.303 . . . . 0.0 114.053 165.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 119.348 -2.095 . . . . 0.0 113.15 169.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -50.18 -46.28 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.924 1.69 . . . . 0.0 112.365 171.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -62.85 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.09 1.756 . . . . 0.0 113.82 165.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.98 -51.61 63.49 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -171.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -131.84 68.3 1.5 Allowed 'General case' 0 CA--C 1.509 -0.631 0 O-C-N 120.791 -1.193 . . . . 0.0 109.436 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -53.48 -49.48 67.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.351 1.46 . . . . 0.0 113.956 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.06 -42.15 94.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.18 -27.63 55.31 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 119.66 -1.9 . . . . 0.0 112.242 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.8 -56.81 8.76 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.428 -1.042 . . . . 0.0 110.479 173.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.06 -44.53 41.84 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.149 2.18 . . . . 0.0 113.327 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.97 3.36 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 125.042 1.306 . . . . 0.0 113.749 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.62 -33.95 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 119.843 -1.974 . . . . 0.0 112.897 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -32.27 -57.15 0.33 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.493 2.317 . . . . 0.0 116.569 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -57.8 -62.6 1.69 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.554 1.942 . . . . 0.0 112.599 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -55.4 -38.9 69.51 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.267 1.427 . . . . 0.0 113.54 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.91 -61.4 2.33 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.101 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.0 -29.61 66.73 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.029 -1.67 . . . . 0.0 114.065 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.6 mtm -66.09 -51.43 58.08 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.668 -1.27 . . . . 0.0 112.692 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -85.3 -31.47 23.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.034 -1.041 . . . . 0.0 113.737 -171.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -65.5 118.87 10.08 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.067 -1.646 . . . . 0.0 113.74 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -41.29 130.57 2.88 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 129.329 3.052 . . . . 0.0 116.861 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 pttm . . . . . 0 C--N 1.347 0.473 0 O-C-N 119.883 -1.76 . . . . 0.0 114.094 -177.365 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.336 2.7 p30 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.15 -39.97 85.8 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 119.939 -1.726 . . . . 0.0 112.722 167.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.29 -55.45 28.12 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.68 1.127 . . . . 0.0 113.655 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -38.48 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.353 0.744 0 N-CA-C 119.277 3.065 . . . . 0.0 119.277 160.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 109.21 -27.29 12.9 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 120.742 -1.224 . . . . 0.0 112.143 -165.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -88.09 124.13 33.46 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.45 -1.03 . . . . 0.0 110.439 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 552' ' ' THR . . . . . 0.526 HG22 ' H ' ' B' ' 553' ' ' ALA . 0.2 OUTLIER -75.55 -171.06 1.4 Allowed 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.376 -1.453 . . . . 0.0 113.652 -172.196 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 553' ' ' ALA . . . . . 0.526 ' H ' HG22 ' B' ' 552' ' ' THR . . . -52.29 -57.24 10.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -76.03 -28.73 57.82 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.208 -1.557 . . . . 0.0 111.564 -165.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.33 -47.98 62.54 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.254 2.221 . . . . 0.0 112.342 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.44 -24.08 65.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 121.179 -0.951 . . . . 0.0 112.688 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -79.33 -44.9 20.69 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.719 -1.238 . . . . 0.0 109.281 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 558' ' ' VAL . . . . . 0.415 ' HA ' ' HB2' ' B' ' 561' ' ' MET . 4.9 p -73.72 -17.41 17.37 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.103 -1.623 . . . . 0.0 114.776 -179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 25.7 mt -68.32 -28.6 67.3 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.287 1.435 . . . . 0.0 112.541 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -73.85 0.12 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.834 1.254 . . . . 0.0 109.919 152.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 561' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' B' ' 558' ' ' VAL . 79.0 mtp -37.73 -46.92 0.94 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 119.908 3.299 . . . . 0.0 119.908 -169.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 562' ' ' ARG . . . . . 0.402 HH21 ' CD ' ' A' ' 10' ' ' GLU . 25.7 mmt180 -112.34 -38.13 4.78 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.761 1.225 . . . . 0.0 112.658 -172.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -93.74 -18.91 21.58 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 123.742 0.817 . . . . 0.0 110.445 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.14 79.55 Favored Glycine 0 C--N 1.348 1.203 0 C-N-CA 124.494 1.045 . . . . 0.0 115.196 174.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.24 132.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-O 121.876 0.846 . . . . 0.0 109.551 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -92.4 95.3 9.58 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.946 -1.096 . . . . 0.0 108.762 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.77 61.17 0.8 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 123.779 1.752 . . . . 0.0 111.647 168.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.42 -16.08 7.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.158 1.783 . . . . 0.0 113.419 -167.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 19.9 p -75.58 -103.88 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.03 136.27 50.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.485 2.714 . . . . 0.0 109.129 -168.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -126.2 152.62 45.79 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.836 1.303 . . . . 0.0 111.949 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 17.5 p -123.69 167.15 14.36 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 162.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.2 -19.51 46.85 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.203 -1.561 . . . . 0.0 109.685 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.83 -54.77 38.01 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 125.2 1.4 . . . . 0.0 112.66 159.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.41 -20.07 59.13 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.08 -42.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.278 -1.514 . . . . 0.0 110.535 161.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.55 -51.31 49.03 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 124.235 0.922 . . . . 0.0 114.259 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -71.24 -28.78 64.42 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 119.093 1.446 . . . . 0.0 110.956 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -18.64 63.64 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.755 -1.84 . . . . 0.0 113.27 170.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.4 -61.74 1.76 Allowed 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.204 -1.56 . . . . 0.0 112.035 173.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -22.18 -69.54 0.03 OUTLIER 'General case' 0 C--N 1.348 0.531 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 151.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.51 -63.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.126 0.97 . . . . 0.0 112.584 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 2.4 m -55.62 -34.73 65.16 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 118.424 2.75 . . . . 0.0 118.424 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -71.17 -49.97 38.26 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.026 -2.296 . . . . 0.0 111.997 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.79 -48.16 15.59 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.662 1.585 . . . . 0.0 112.874 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 172.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.54 -36.64 77.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.109 -1.619 . . . . 0.0 111.538 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -74.39 -19.29 60.48 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 119.559 -1.963 . . . . 0.0 110.696 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.67 -22.06 34.74 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.759 1.623 . . . . 0.0 113.653 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.36 -39.99 79.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 120.074 -1.641 . . . . 0.0 112.732 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.31 -57.08 6.5 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.148 2.579 . . . . 0.0 112.92 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.49 -49.59 3.96 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 130.384 3.474 . . . . 0.0 115.55 167.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -71.06 -45.75 63.23 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.239 1.415 . . . . 0.0 110.321 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.94 67.72 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.521 1.128 . . . . 0.0 113.816 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.78 2.4 5.46 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.181 -1.574 . . . . 0.0 114.906 168.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -97.17 -39.99 9.01 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.057 -2.277 . . . . 0.0 108.848 166.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.18 -48.94 71.68 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.145 -1.597 . . . . 0.0 114.403 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.7 tp -92.74 103.19 15.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.984 -1.072 . . . . 0.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -90.7 -6.05 54.98 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -68.81 145.23 96.7 Favored Pre-proline 0 C--N 1.348 0.516 0 O-C-N 120.341 -1.475 . . . . 0.0 111.449 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.74 99.18 1.27 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.373 2.049 . . . . 0.0 113.385 -172.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 m -70.67 -68.99 0.39 Allowed 'General case' 0 C--N 1.35 0.613 0 C-N-CA 124.828 1.251 . . . . 0.0 113.454 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 -83.88 134.95 34.67 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 120.467 -1.396 . . . . 0.0 110.821 -177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 24.8 p -77.4 -29.75 53.24 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 125.52 1.528 . . . . 0.0 113.932 -172.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -100.94 146.2 27.68 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 123.556 1.646 . . . . 0.0 114.398 -172.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.98 119.9 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 128.244 2.618 . . . . 0.0 110.461 -170.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -125.16 128.48 48.45 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.383 -1.448 . . . . 0.0 111.606 -166.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 26.5 ttp-105 -100.61 -92.25 0.3 Allowed 'General case' 0 C--N 1.357 0.932 0 O-C-N 121.006 -1.059 . . . . 0.0 109.342 167.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 23.5 t -78.29 -161.65 0.29 Allowed 'General case' 0 C--N 1.349 0.564 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 154.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -84.99 88.58 7.46 Favored 'General case' 0 C--N 1.364 1.214 0 O-C-N 118.659 -2.526 . . . . 0.0 107.322 -168.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 56.9 mt -106.58 55.76 0.66 Allowed 'General case' 0 C--N 1.347 0.481 0 C-N-CA 125.013 1.325 . . . . 0.0 108.493 -175.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -140.33 -168.09 2.47 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.554 1.104 0 C-N-CA 128.625 2.77 . . . . 0.0 114.324 171.118 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.6 m120 . . . . . 0 N--CA 1.435 -1.196 0 CA-C-O 121.866 0.841 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -111.11 167.81 9.98 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.767 -1.208 . . . . 0.0 107.947 165.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -65.27 -13.78 59.18 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.733 -1.854 . . . . 0.0 114.092 167.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.46 -27.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 125.109 1.363 . . . . 0.0 111.492 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.98 -49.21 74.23 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.263 -1.523 . . . . 0.0 114.031 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 m -66.22 -41.72 89.68 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.089 1.356 . . . . 0.0 111.052 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -56.6 -55.47 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.566 1.146 . . . . 0.0 111.511 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -48.06 -46.23 33.29 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.93 1.692 . . . . 0.0 114.13 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -58.88 -59.94 4.65 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.382 1.473 . . . . 0.0 112.952 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -52.87 -47.61 52.0 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 126.402 1.881 . . . . 0.0 114.286 175.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.56 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.232 1.013 . . . . 0.0 111.134 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.5 m -55.44 -51.55 66.54 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.357 -1.464 . . . . 0.0 113.846 167.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.21 -30.78 41.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 119.846 -1.784 . . . . 0.0 111.262 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.23 -18.89 61.79 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 119.627 -1.921 . . . . 0.0 114.377 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.1 m -76.34 -57.62 3.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 123.215 1.483 . . . . 0.0 107.916 -169.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -20.78 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 129.659 3.184 . . . . 0.0 117.094 152.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 mt -52.39 -41.65 63.34 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.39 1.09 . . . . 0.0 113.592 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.41 -61.97 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 127.114 2.166 . . . . 0.0 109.823 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.35 -37.57 87.98 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.996 -1.69 . . . . 0.0 112.609 -164.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.35 -59.04 2.29 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 112.735 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.6 p -109.34 -11.28 14.87 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 60.09 -170.89 0.14 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 128.028 2.531 . . . . 0.0 117.255 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.34 -20.81 0.01 OUTLIER 'General case' 0 C--N 1.352 0.688 0 C-N-CA 130.396 3.478 . . . . 0.0 118.233 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.89 -51.77 66.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.15 -1.594 . . . . 0.0 113.549 170.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mt -83.56 -50.18 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 O-C-N 119.95 -1.719 . . . . 0.0 111.55 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -35.54 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 129.333 3.053 . . . . 0.0 116.002 164.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -39.2 -46.21 1.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.418 2.287 . . . . 0.0 117.084 169.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -98.5 122.95 42.34 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -165.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -58.09 -42.01 84.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.18 84.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -54.02 -33.55 57.53 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 175.022 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -67.01 -59.88 3.1 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.069 -1.644 . . . . 0.0 111.76 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 mt -30.84 -65.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.346 0.431 0 C-N-CA 128.459 2.703 . . . . 0.0 114.653 149.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . . . -55.48 -33.01 63.31 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -42.11 60.04 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.635 1.174 . . . . 0.0 112.664 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.14 -35.99 81.95 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.142 -1.599 . . . . 0.0 111.743 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.38 -50.29 68.27 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 121.074 -1.016 . . . . 0.0 111.879 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.04 -54.88 2.18 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 128.058 2.543 . . . . 0.0 114.146 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.0 pt -87.65 -19.07 8.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.66 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.07 55.72 2.06 Favored Glycine 0 C--N 1.339 0.711 0 O-C-N 119.598 -1.939 . . . . 0.0 112.898 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 122.01 44.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 163.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -125.99 167.22 15.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.12 140.77 22.6 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 168.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.328 47.1 mt-10 75.43 8.87 3.79 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 122.997 2.635 . . . . 0.0 111.627 166.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.62 0.33 86.28 Favored Glycine 0 C--N 1.352 1.446 0 C-N-CA 126.313 1.911 . . . . 0.0 112.032 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.22 131.94 56.29 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 125.037 1.335 . . . . 0.0 110.7 -167.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -83.85 135.93 34.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.083 -1.635 . . . . 0.0 110.06 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.61 83.05 0.01 OUTLIER 'General case' 0 C--N 1.351 0.673 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -170.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -74.96 -177.19 3.22 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.921 -1.737 . . . . 0.0 112.607 161.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -65.9 -30.3 70.87 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.76 -53.67 25.39 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.791 -1.193 . . . . 0.0 111.283 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -55.57 -39.87 71.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 126.85 2.06 . . . . 0.0 112.53 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -61.45 2.57 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.161 1.385 . . . . 0.0 114.392 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -73.09 -25.41 60.87 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.321 -1.487 . . . . 0.0 111.916 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -50.63 -53.97 26.62 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -70.52 -15.99 19.46 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.34 -44.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 111.382 173.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -65.91 -63.32 1.11 Allowed 'General case' 0 C--O 1.237 0.443 0 C-N-CA 127.831 2.452 . . . . 0.0 114.639 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.57 75.38 9.1 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.844 2.259 . . . . 0.0 108.786 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 tp -131.31 140.4 49.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 112.83 -1.986 . . . . 0.0 107.402 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -67.62 143.46 56.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.182 1.393 . . . . 0.0 111.016 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -62.63 -43.4 98.9 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.609 -1.307 . . . . 0.0 112.734 173.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -60.34 -53.79 53.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 113.07 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.254 0.2 OUTLIER -81.28 -27.08 35.26 Favored 'General case' 0 C--N 1.364 1.226 0 O-C-N 121.065 -1.022 . . . . 0.0 113.607 -178.373 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -60.22 -34.61 73.9 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 122.256 2.298 . . . . 0.0 112.977 165.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -75.09 -26.4 59.27 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 121.002 -1.061 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . 0.272 28.5 p -55.51 -44.62 76.78 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.379 -1.45 . . . . 0.0 114.026 164.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.35 -46.49 90.01 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.978 -1.076 . . . . 0.0 112.079 172.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.66 -60.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.627 1.171 . . . . 0.0 112.905 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.01 -34.18 77.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.645 -1.91 . . . . 0.0 114.636 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -66.76 -56.5 10.21 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.703 -1.873 . . . . 0.0 112.403 172.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.59 70.55 0.75 Allowed 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.021 1.328 . . . . 0.0 110.509 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.59 -56.99 14.74 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.563 -1.335 . . . . 0.0 113.843 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.22 -26.7 59.14 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.68 4.25 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 120.274 -1.516 . . . . 0.0 113.592 -173.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.08 -56.17 8.54 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 119.879 -1.954 . . . . 0.0 110.396 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.78 -44.04 97.31 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.544 0.737 . . . . 0.0 111.747 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.72 -50.3 67.47 Favored Glycine 0 C--N 1.348 1.238 0 C-N-CA 123.847 0.737 . . . . 0.0 114.274 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.47 -43.18 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 O-C-N 119.078 -2.425 . . . . 0.0 111.145 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -36.79 85.51 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.301 -1.499 . . . . 0.0 112.404 -173.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -64.9 -49.1 71.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.777 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.16 -25.24 61.62 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 120.338 -1.476 . . . . 0.0 112.139 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.78 -36.84 78.79 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.222 -1.549 . . . . 0.0 114.319 167.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.3 -38.74 80.98 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.124 1.329 . . . . 0.0 111.507 169.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.0 ttp -68.61 -49.21 61.05 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.449 1.1 . . . . 0.0 113.795 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -80.22 -47.27 14.9 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.376 -1.453 . . . . 0.0 114.444 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.7 p -78.4 80.95 4.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.987 -1.696 . . . . 0.0 110.904 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -77.3 155.74 31.83 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.945 -1.722 . . . . 0.0 110.958 -172.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.0 pttt . . . . . 0 CA--C 1.517 -0.322 0 O-C-N 120.519 -1.363 . . . . 0.0 111.073 173.048 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.928 0.87 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 547' ' ' VAL . . . . . 0.403 HG23 ' H ' ' B' ' 547' ' ' VAL . 44.2 t -49.01 -49.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 C-N-CA 128.162 2.585 . . . . 0.0 113.454 172.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 2.2 mp -49.75 -48.3 50.29 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 126.014 1.726 . . . . 0.0 115.321 172.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.82 -34.33 52.03 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.911 -1.118 . . . . 0.0 111.439 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 130.2 -15.15 5.6 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.913 168.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.6 pp -91.96 131.71 37.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 123.368 1.556 . . . . 0.0 113.458 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 1.3 m -75.91 164.79 25.84 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.635 -1.916 . . . . 0.0 112.811 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.57 -48.32 1.41 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -57.29 -45.65 83.92 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.532 2.11 . . . . 0.0 111.511 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.47 -45.7 68.4 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 130.849 3.659 . . . . 0.0 111.788 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.88 82.08 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.107 1.432 . . . . 0.0 111.874 172.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.96 -44.23 77.21 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.754 1.621 . . . . 0.0 113.951 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.85 -25.0 37.32 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 119.781 -1.825 . . . . 0.0 113.019 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.37 -52.62 62.89 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 124.639 1.176 . . . . 0.0 111.218 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -72.41 -25.67 61.58 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 117.318 -1.325 . . . . 0.0 113.659 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 80.9 mtp -79.11 -54.85 5.58 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 123.66 2.936 . . . . 0.0 112.096 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -99.21 -56.48 2.41 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.217 1.407 . . . . 0.0 113.398 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.5 -26.61 66.43 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.633 -1.292 . . . . 0.0 112.96 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.35 38.56 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 117.077 1.591 . . . . 0.0 117.077 170.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.6 mt -106.15 128.88 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.585 2.193 . . . . 0.0 109.324 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.53 82.49 1.82 Allowed 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 120.79 -1.194 . . . . 0.0 112.49 -176.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -99.31 70.92 1.77 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.311 -1.493 . . . . 0.0 111.559 168.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.55 66.32 0.63 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 118.534 -2.604 . . . . 0.0 109.89 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 13.9 t -177.48 -179.69 0.86 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 125.596 1.559 . . . . 0.0 107.547 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -75.45 133.42 41.1 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 131.564 3.946 . . . . 0.0 111.8 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -128.86 156.81 43.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.865 0.84 . . . . 0.0 110.058 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 m -86.64 159.65 19.14 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.635 1.574 . . . . 0.0 109.022 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.67 -26.77 65.47 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.666 -1.897 . . . . 0.0 112.834 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.62 -55.94 27.68 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.43 1.892 . . . . 0.0 113.531 160.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.97 -43.88 94.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.161 2.184 . . . . 0.0 114.605 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 62.1 t -46.13 -50.23 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.753 1.221 . . . . 0.0 113.719 167.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -70.28 -36.51 70.57 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 120.803 -1.186 . . . . 0.0 113.912 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -79.01 -20.93 47.8 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 121.161 -1.199 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -77.02 -14.02 59.88 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.874 -1.766 . . . . 0.0 112.151 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.95 -67.35 0.61 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.053 1.741 . . . . 0.0 111.663 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -8.46 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 139.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.75 -64.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.743 0 C-N-CA 124.672 1.189 . . . . 0.0 112.382 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 9.5 m -41.85 -45.71 3.75 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 167.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -62.76 -45.12 94.18 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.224 -2.172 . . . . 0.0 112.143 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -50.01 -54.65 18.76 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.364 1.065 . . . . 0.0 111.874 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -56.5 -40.29 74.72 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.01 -39.04 80.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.952 -1.717 . . . . 0.0 110.718 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -74.86 -15.56 60.71 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.14 -2.225 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -79.16 -34.67 42.96 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.409 -1.432 . . . . 0.0 112.402 166.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.77 -46.65 79.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.641 -1.912 . . . . 0.0 112.835 167.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.252 2.221 . . . . 0.0 112.294 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.76 -47.43 20.76 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -79.35 -42.16 26.25 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.755 -0.59 . . . . 0.0 110.172 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.57 87.48 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.744 -1.222 . . . . 0.0 113.531 -177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.16 -5.56 45.02 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.957 1.703 . . . . 0.0 115.213 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -98.35 -34.81 10.53 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.976 1.71 . . . . 0.0 109.048 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.02 -36.97 67.08 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.247 -1.533 . . . . 0.0 114.198 171.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.0 tp -85.51 100.63 12.04 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.787 -1.196 . . . . 0.0 111.641 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -100.16 0.67 41.0 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 121.064 -1.023 . . . . 0.0 113.072 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -84.96 108.72 16.34 Favored Pre-proline 0 C--N 1.351 0.664 0 O-C-N 120.119 -1.613 . . . . 0.0 110.623 172.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.28 162.19 31.38 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.182 1.922 . . . . 0.0 114.117 -158.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 45.2 t -153.84 -54.84 0.11 Allowed 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.868 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.84 125.74 31.66 Favored 'General case' 0 C--N 1.364 1.223 0 CA-C-O 121.951 0.881 . . . . 0.0 109.385 -171.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 66.8 m -95.47 -58.65 2.07 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.605 1.162 . . . . 0.0 108.872 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -100.43 160.17 14.55 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -164.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 3.2 p -80.92 103.11 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 123.314 1.531 . . . . 0.0 112.233 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 62.9 tp -147.34 109.15 4.4 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 119.599 -1.938 . . . . 0.0 108.221 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -166.98 -115.34 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 1.9 m -160.71 -63.58 0.06 Allowed 'General case' 0 CA--C 1.503 -0.856 0 O-C-N 120.123 -1.611 . . . . 0.0 110.071 172.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -88.81 79.04 7.5 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.147 -0.971 . . . . 0.0 109.622 -168.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 9.8 mt -107.48 61.11 0.62 Allowed 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 119.413 -2.054 . . . . 0.0 110.335 -160.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -84.26 3.32 35.96 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.63 -1.294 . . . . 0.0 111.429 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--N 1.362 1.149 0 C-N-CA 130.451 3.5 . . . . 0.0 113.16 -175.375 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 122.489 1.138 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -115.71 136.28 53.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 122.47 1.129 . . . . 0.0 111.825 -168.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -82.95 -31.72 27.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 120.913 -1.117 . . . . 0.0 109.087 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.01 -26.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 O-C-N 121.606 -0.684 . . . . 0.0 111.839 -167.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.5 -55.61 20.87 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 126.373 1.869 . . . . 0.0 112.624 168.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m -64.48 -43.19 94.93 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.758 1.623 . . . . 0.0 112.835 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -54.8 -53.14 35.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.703 1.601 . . . . 0.0 110.388 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -47.27 -40.39 16.59 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 126.988 2.115 . . . . 0.0 115.276 171.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.35 -58.18 5.86 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.815 -1.178 . . . . 0.0 110.166 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.41 -51.48 4.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 127.519 2.328 . . . . 0.0 113.13 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.84 -54.89 29.02 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 C-N-CA 124.945 1.298 . . . . 0.0 111.623 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.5 m -52.52 -49.6 64.49 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.149 1.379 . . . . 0.0 113.503 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -79.12 -17.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.851 1.31 . . . . 0.0 114.1 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.08 -16.25 30.06 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 119.751 -1.843 . . . . 0.0 111.148 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 t -74.42 -51.89 13.63 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.2 mt -30.68 -56.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 128.216 2.606 . . . . 0.0 114.831 162.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.62 -43.25 84.62 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.311 -1.493 . . . . 0.0 113.814 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.3 mm -61.46 -59.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 126.39 1.876 . . . . 0.0 109.533 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.49 -35.02 78.02 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.371 1.558 . . . . 0.0 112.01 -163.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -97.64 -59.54 1.75 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.712 1.605 . . . . 0.0 111.213 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -104.58 -6.53 20.44 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.753 -1.217 . . . . 0.0 113.354 -166.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 61.46 -140.7 0.49 Allowed 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -85.16 -8.42 58.61 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.365 -1.46 . . . . 0.0 112.646 -161.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -49.62 -62.04 1.78 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 129.017 2.927 . . . . 0.0 112.836 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -95.78 -27.72 4.05 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 120.15 -1.594 . . . . 0.0 112.084 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -54.96 -40.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 127.446 2.299 . . . . 0.0 114.986 167.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.71 -36.23 71.73 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.921 1.819 . . . . 0.0 113.106 173.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -79.88 99.41 7.54 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.341 -1.754 . . . . 0.0 108.929 -163.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -58.73 -42.71 89.4 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -172.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.25 -39.54 32.83 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 120.631 -1.293 . . . . 0.0 112.358 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.8 -42.71 72.14 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.909 1.284 . . . . 0.0 113.097 174.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -58.21 -57.88 10.92 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.04 1.736 . . . . 0.0 114.632 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 34' ' ' ILE . 61.8 mt -38.25 -63.55 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 129.665 3.186 . . . . 0.0 113.024 153.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -34.18 60.32 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 118.554 -2.591 . . . . 0.0 115.664 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CZ ' HG23 ' B' ' 587' ' ' ILE . 0.5 OUTLIER -64.02 -39.89 95.11 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 126.798 2.039 . . . . 0.0 112.58 177.632 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.03 -38.95 86.82 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.861 1.315 . . . . 0.0 112.34 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -74.23 -39.77 62.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 120.218 -1.551 . . . . 0.0 111.523 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -34.68 -58.57 0.5 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.765 2.426 . . . . 0.0 116.914 171.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.442 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -88.7 -13.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 121.507 0.67 . . . . 0.0 110.368 -178.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.81 66.41 2.06 Favored Glycine 0 CA--C 1.494 -1.224 0 O-C-N 120.681 -1.262 . . . . 0.0 114.194 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -80.48 113.03 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 160.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -121.42 -173.8 2.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.323 1.874 . . . . 0.0 110.158 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -166.83 126.79 1.53 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 102.834 -3.025 . . . . 0.0 102.834 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.47 55.2 mt-10 80.5 -12.2 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 CA-C-N 125.841 3.928 . . . . 0.0 114.235 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.63 12.7 68.83 Favored Glycine 0 C--N 1.349 1.251 0 C-N-CA 124.154 0.883 . . . . 0.0 111.008 -163.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -90.48 137.92 31.97 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 122.563 1.173 . . . . 0.0 111.742 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.38 143.77 38.44 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.731 1.213 . . . . 0.0 109.503 157.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.55 92.96 6.9 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.039 -1.663 . . . . 0.0 109.436 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -75.71 175.92 8.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.734 -1.229 . . . . 0.0 109.777 160.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -43.14 -44.01 4.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -55.11 -62.47 1.64 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.33 1.852 . . . . 0.0 113.758 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -64.68 -35.72 81.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 O-C-N 121.019 -1.051 . . . . 0.0 112.692 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.96 -46.93 88.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.998 0.919 . . . . 0.0 112.688 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.71 -36.38 65.22 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.335 -1.478 . . . . 0.0 110.505 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -58.59 -46.09 87.7 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.541 1.536 . . . . 0.0 114.843 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.75 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 O-C-N 120.774 -1.204 . . . . 0.0 113.743 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.0 t -60.74 -42.6 92.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 126.682 1.993 . . . . 0.0 113.624 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.3 t -57.85 -52.92 63.51 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 119.726 -1.859 . . . . 0.0 114.393 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -87.47 8.17 26.01 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.806 1.184 . . . . 0.0 113.456 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 66' ' ' LYS . 2.0 tt -57.74 129.45 41.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.078 -1.639 . . . . 0.0 113.211 171.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -68.73 142.57 54.95 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 126.231 1.812 . . . . 0.0 113.288 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.51 -53.94 49.75 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.628 1.171 . . . . 0.0 112.578 -168.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -58.21 -37.88 75.68 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -78.56 -39.3 38.13 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.495 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.544 ' HB3' HD22 ' A' ' 61' ' ' LEU 0.266 4.6 pttm -62.28 -35.46 79.08 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 123.009 2.64 . . . . 0.0 112.838 173.808 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.65 -45.01 72.9 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 122.236 1.017 . . . . 0.0 109.938 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.9 m -54.91 -38.12 67.23 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.828 2.051 . . . . 0.0 115.014 170.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.79 -42.04 97.82 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.701 -1.874 . . . . 0.0 111.375 172.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.34 -59.28 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.591 1.156 . . . . 0.0 112.379 167.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.62 -12.24 43.59 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 126.424 1.889 . . . . 0.0 114.71 -175.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.5 -61.54 2.42 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.937 -1.102 . . . . 0.0 111.91 162.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.325 0.0 OUTLIER 143.92 -19.29 0.0 OUTLIER 'General case' 0 C--N 1.361 1.069 0 C-N-CA 128.876 2.87 . . . . 0.0 114.624 172.491 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.49 127.58 28.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 -163.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.87 -27.43 68.79 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.33 1.852 . . . . 0.0 113.301 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.92 -18.28 59.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.385 -1.447 . . . . 0.0 111.046 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -72.6 -60.4 2.25 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 121.366 -1.079 . . . . 0.0 108.964 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -59.38 -31.84 69.59 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.121 -0.987 . . . . 0.0 113.516 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.0 -61.26 5.87 Favored Glycine 0 C--N 1.351 1.41 0 C-N-CA 125.609 1.576 . . . . 0.0 114.349 167.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.68 -41.0 71.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 CA-C-N 120.699 2.25 . . . . 0.0 111.74 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.06 -65.37 0.3 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.92 1.688 . . . . 0.0 114.25 166.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -63.71 -35.63 81.19 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -81.32 -30.76 33.77 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.413 -1.43 . . . . 0.0 112.146 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.7 tp -56.17 -50.16 71.96 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.382 1.473 . . . . 0.0 112.695 171.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -56.64 -48.19 78.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.064 1.346 . . . . 0.0 112.516 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 46.6 ttp -69.91 -58.05 4.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.022 1.329 . . . . 0.0 113.209 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -77.1 -38.17 52.8 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.542 -1.349 . . . . 0.0 114.485 -173.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.7 p -90.53 125.06 35.49 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.21 -1.556 . . . . 0.0 113.411 -168.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -104.9 164.69 11.6 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 167.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.452 -0.37 0 O-C-N 119.789 -1.819 . . . . 0.0 112.671 177.384 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 29.5 t -76.76 -35.29 24.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 112.71 168.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 28.6 tp -69.03 -65.54 0.69 Allowed 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.617 -1.302 . . . . 0.0 112.435 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -31.8 -59.14 0.27 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 149.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 80.08 42.62 10.6 Favored Glycine 0 C--N 1.346 1.084 0 C-N-CA 126.085 1.803 . . . . 0.0 112.254 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.8 pp -127.45 157.59 39.63 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.955 2.378 . . . . 0.0 104.698 -168.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.8 m -87.49 146.62 25.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.895 0.855 . . . . 0.0 111.211 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.8 57.74 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.359 -2.088 . . . . 0.0 114.058 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -69.05 -29.38 67.51 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.818 -1.176 . . . . 0.0 113.392 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.92 -42.85 69.34 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.398 1.479 . . . . 0.0 110.16 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.03 89.57 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.597 1.159 . . . . 0.0 112.266 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -49.94 -67.49 0.26 Allowed 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.931 1.292 . . . . 0.0 114.054 166.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.0 p -68.03 -22.58 27.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.146 0 O-C-N 119.941 -1.725 . . . . 0.0 114.598 -173.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.68 -51.99 67.02 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 125.497 1.519 . . . . 0.0 110.591 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -77.03 -20.86 55.41 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 74.2 mtm -75.18 -56.64 4.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 123.348 2.794 . . . . 0.0 114.419 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -104.21 -47.45 4.14 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.564 -1.335 . . . . 0.0 114.278 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -70.07 -26.5 64.03 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.835 -1.165 . . . . 0.0 111.927 -173.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.14 35.21 39.03 Favored Glycine 0 CA--C 1.496 -1.094 0 C-N-CA 125.037 1.303 . . . . 0.0 113.143 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -117.36 124.92 73.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 171.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.3 111.97 20.37 Favored 'General case' 0 N--CA 1.443 -0.801 0 O-C-N 120.7 -1.25 . . . . 0.0 113.036 -170.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 51.0 mtt -115.52 55.3 0.78 Allowed 'General case' 0 C--N 1.368 1.37 0 CA-C-N 120.118 1.326 . . . . 0.0 109.05 168.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -113.34 -39.39 4.14 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -165.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 74.7 p -74.53 -122.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 123.899 1.809 . . . . 0.0 115.538 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -110.45 117.14 32.77 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 129.062 2.945 . . . . 0.0 104.633 171.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.3 150.08 40.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -169.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.1 p -117.08 172.86 7.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.307 1.443 . . . . 0.0 110.234 -174.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.6 pp -45.12 -40.85 7.34 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 157.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -74.76 -50.62 16.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.591 1.556 . . . . 0.0 111.126 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . 0.334 5.5 mt-10 -63.93 -37.18 86.46 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 34.2 m -54.94 -44.12 71.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 122.385 2.357 . . . . 0.0 113.283 169.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.49 -38.58 96.57 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 124.581 1.086 . . . . 0.0 112.753 176.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -71.6 -37.99 70.92 Favored 'General case' 0 C--N 1.369 1.431 0 CA-C-O 123.037 1.399 . . . . 0.0 107.722 -172.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -72.46 -27.19 62.15 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.836 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -54.81 42.58 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.07 1.304 . . . . 0.0 112.919 168.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -60.66 2.61 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 116.932 2.197 . . . . 0.0 116.932 163.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.58 -61.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 126.275 1.83 . . . . 0.0 112.989 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.44 -36.46 6.58 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 118.221 2.674 . . . . 0.0 118.221 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -70.04 -38.68 75.91 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 121.112 1.778 . . . . 0.0 110.058 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -62.56 -49.2 76.23 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.648 -1.16 . . . . 0.0 113.346 171.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -63.18 -32.65 74.1 Favored 'General case' 0 C--N 1.361 1.096 0 O-C-N 120.305 -1.497 . . . . 0.0 112.017 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 587' ' ' ILE . . . . . 0.407 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 10.1 mt -58.99 -42.1 85.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 O-C-N 119.523 -1.986 . . . . 0.0 111.302 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -73.13 -17.78 61.36 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 123.034 2.652 . . . . 0.0 111.08 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.89 -42.72 60.28 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.102 -1.624 . . . . 0.0 111.886 168.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.99 -49.64 37.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 C-N-CA 125.268 1.427 . . . . 0.0 113.072 163.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.48 -51.83 65.66 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 125.558 1.543 . . . . 0.0 112.346 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.83 20.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.711 1.604 . . . . 0.0 114.727 170.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -76.16 -19.15 58.73 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.095 -1.628 . . . . 0.0 112.312 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -82.44 -38.71 23.61 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.167 1.387 . . . . 0.0 110.629 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.55 -9.42 58.66 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.124 -1.61 . . . . 0.0 114.439 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.5 mtm105 -88.26 -24.29 23.26 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.192 -1.568 . . . . 0.0 110.395 167.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -77.94 -40.93 37.99 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.051 -1.656 . . . . 0.0 113.964 165.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.2 tp -82.56 72.17 9.63 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-O 123.38 1.562 . . . . 0.0 110.984 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -67.3 -41.77 84.83 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 125.595 1.558 . . . . 0.0 113.174 170.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -47.71 108.71 0.95 Allowed Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 114.833 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -82.64 96.26 0.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 CA-C-N 121.642 1.622 . . . . 0.0 112.893 -162.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 65.0 p -108.58 53.53 0.68 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.089 0.956 . . . . 0.0 109.438 167.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -88.84 101.08 13.68 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.819 1.295 . . . . 0.0 110.695 -173.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 42.2 m -88.24 -27.17 21.94 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 121.101 -0.999 . . . . 0.0 110.874 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 48.7 mp0 -79.86 163.15 24.59 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -153.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 2.9 t -97.31 57.14 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 O-C-N 119.849 -1.782 . . . . 0.0 112.248 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 72.8 mt -103.44 19.97 18.72 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 118.54 -2.6 . . . . 0.0 109.061 -173.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -73.18 2.04 8.05 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 49.1 m -76.67 -22.06 54.53 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 121.234 -0.916 . . . . 0.0 110.482 164.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.68 -90.86 0.43 Allowed 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.891 2.476 . . . . 0.0 106.555 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 611' ' ' LEU . . . . . 0.573 HD23 ' H ' ' B' ' 611' ' ' LEU . 2.6 pt? -95.05 133.6 38.67 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 124.397 3.271 . . . . 0.0 116.044 -166.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -74.78 -62.43 1.54 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.491 2.316 . . . . 0.0 115.835 172.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 51.4 t0 . . . . . 0 CA--C 1.556 1.209 0 C-N-CA 125.282 1.433 . . . . 0.0 110.759 -169.402 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 N--CA 1.442 -0.862 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -94.11 172.26 8.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 128.929 2.892 . . . . 0.0 108.43 168.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -60.46 -30.94 69.99 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.844 -1.785 . . . . 0.0 112.117 173.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.18 -37.79 80.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 124.183 0.993 . . . . 0.0 111.135 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.573 1.149 . . . . 0.0 112.996 173.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -64.25 -43.16 95.75 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.901 -1.75 . . . . 0.0 110.751 170.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.61 -50.91 77.4 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 125.135 1.374 . . . . 0.0 111.1 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -49.2 -41.04 35.67 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 126.387 1.875 . . . . 0.0 114.834 169.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -65.07 -51.19 62.88 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 120.992 -1.067 . . . . 0.0 111.638 171.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -48.08 -47.16 13.11 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 124.655 1.182 . . . . 0.0 113.265 171.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.04 -55.14 23.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 120.939 -1.101 . . . . 0.0 109.762 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.1 m -53.68 -51.64 62.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 126.281 1.832 . . . . 0.0 112.973 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -77.07 -27.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 O-C-N 120.546 -1.346 . . . . 0.0 111.586 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.52 69.94 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 119.137 -2.227 . . . . 0.0 111.457 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -67.65 -32.94 73.96 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 125.37 2.509 . . . . 0.0 108.962 -169.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.86 -57.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 130.923 3.689 . . . . 0.0 110.774 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.96 -47.54 74.37 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 123.388 1.566 . . . . 0.0 113.187 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.46 -64.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.795 0 C-N-CA 126.498 1.919 . . . . 0.0 112.474 175.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.36 -19.48 59.55 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 118.075 -2.89 . . . . 0.0 114.301 -164.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -88.58 -52.11 5.34 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.662 0.785 . . . . 0.0 111.61 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -101.11 16.52 25.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 120.14 -1.6 . . . . 0.0 109.619 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.297 2.4 ttm180 46.29 -105.75 0.12 Allowed 'General case' 0 C--N 1.362 1.12 0 CA-C-N 120.439 1.472 . . . . 0.0 113.797 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.94 -4.08 9.63 Favored 'General case' 0 N--CA 1.42 -1.934 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -172.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -60.03 -43.59 95.22 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -166.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 pt -92.95 -22.55 5.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 O-C-N 118.22 -2.8 . . . . 0.0 112.105 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.0 -43.37 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 C-N-CA 127.413 2.285 . . . . 0.0 114.082 -163.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -46.38 -55.24 7.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 131.69 3.996 . . . . 0.0 113.992 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -65.22 102.76 0.69 Allowed 'General case' 0 C--N 1.354 0.773 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.958 -170.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -61.26 -47.46 85.95 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.058 -1.651 . . . . 0.0 115.251 -163.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.57 74.33 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.238 -1.539 . . . . 0.0 113.448 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.13 72.46 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.485 -1.384 . . . . 0.0 113.071 171.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.88 -54.03 47.62 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.089 -1.632 . . . . 0.0 113.833 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.412 ' H ' HG13 ' A' ' 34' ' ' ILE . 19.9 mt -40.72 -62.25 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 130.44 3.496 . . . . 0.0 113.61 156.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.78 69.1 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 119.212 -2.18 . . . . 0.0 116.023 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.35 -35.51 79.52 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 123.766 0.827 . . . . 0.0 110.939 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.23 -41.43 90.09 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.849 -1.157 . . . . 0.0 111.288 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -69.08 -51.99 33.02 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.298 -1.501 . . . . 0.0 110.65 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 40' ' ' ILE . 9.6 tp10 -25.98 -55.0 0.06 Allowed 'General case' 0 C--N 1.349 0.573 0 C-N-CA 129.511 3.124 . . . . 0.0 118.371 169.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.445 HG23 ' HG3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 -3.94 10.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 120.441 -1.412 . . . . 0.0 113.177 179.688 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 57.86 2.26 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 120.406 -1.434 . . . . 0.0 114.446 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -99.42 100.63 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 48' ' ' LYS . 17.9 p -125.81 -166.84 1.61 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.755 1.264 . . . . 0.0 108.991 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -173.9 129.9 0.4 Allowed 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 173.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.447 45.5 mt-10 63.3 13.98 7.45 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.122 -2.236 . . . . 0.0 115.371 -169.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.86 -38.71 3.0 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -61.07 107.91 0.8 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.894 0.878 . . . . 0.0 112.897 -171.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HA ' HG22 ' A' ' 43' ' ' THR . 0.0 OUTLIER -66.35 146.18 54.87 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 119.36 -2.087 . . . . 0.0 110.103 171.255 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.05 86.6 3.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 120.122 -1.611 . . . . 0.0 114.512 -158.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -75.9 168.99 19.01 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.535 1.134 . . . . 0.0 107.975 166.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.96 -24.44 66.8 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 120.567 -1.333 . . . . 0.0 114.188 -164.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -61.04 -58.03 10.12 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.521 -1.362 . . . . 0.0 112.936 165.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -67.54 -36.06 80.26 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 128.117 2.567 . . . . 0.0 112.881 -172.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -59.43 -49.88 76.09 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.535 1.134 . . . . 0.0 112.483 171.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -79.23 -30.65 43.32 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.221 -1.549 . . . . 0.0 113.59 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -50.29 -33.98 21.85 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.389 1.075 . . . . 0.0 113.78 166.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 28.9 pt -87.34 -62.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 116.563 -1.684 . . . . 0.0 113.605 165.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.86 -25.08 21.72 Favored 'Isoleucine or valine' 0 C--N 1.382 2.012 0 CA-C-N 123.288 2.767 . . . . 0.0 111.329 -150.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -91.82 -21.04 20.87 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.085 -1.009 . . . . 0.0 112.602 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.1 77.13 5.35 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 124.043 1.878 . . . . 0.0 108.97 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.2 mt -115.78 142.38 46.84 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 126.908 2.083 . . . . 0.0 106.613 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -82.97 160.91 21.93 Favored 'General case' 0 C--N 1.342 0.273 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -77.05 -37.78 54.05 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.39 -2.069 . . . . 0.0 113.25 -167.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.26 -53.74 52.28 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 126.04 1.736 . . . . 0.0 113.593 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -46.12 -63.16 1.05 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 129.387 3.075 . . . . 0.0 115.513 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -51.1 -47.54 61.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 128.338 2.655 . . . . 0.0 114.28 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.12 -38.04 87.19 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 124.322 2.011 . . . . 0.0 107.879 -170.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -59.9 -44.75 94.07 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.956 2.103 . . . . 0.0 112.951 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.86 -32.11 72.43 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.86 -1.775 . . . . 0.0 113.622 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.64 -54.36 26.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.574 1.55 . . . . 0.0 111.024 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -39.14 68.04 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.031 1.732 . . . . 0.0 115.013 172.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.17 -50.76 13.7 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.816 -1.178 . . . . 0.0 113.683 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -116.73 74.93 0.93 Allowed 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.535 -1.353 . . . . 0.0 110.587 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -64.42 -45.84 85.82 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 120.205 -1.559 . . . . 0.0 113.188 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.91 -22.35 24.43 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.521 -0.737 . . . . 0.0 111.578 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.13 -33.65 14.31 Favored Glycine 0 C--N 1.357 1.714 0 O-C-N 119.614 -1.929 . . . . 0.0 113.202 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.63 -48.09 61.16 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.957 -1.319 . . . . 0.0 109.981 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.58 -43.49 84.61 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.995 1.318 . . . . 0.0 114.056 168.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.87 60.6 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 125.89 1.71 . . . . 0.0 114.554 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.48 -53.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 124.826 1.25 . . . . 0.0 113.024 173.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -28.85 -63.08 0.11 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.321 2.249 . . . . 0.0 115.654 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -57.38 -38.21 73.87 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.282 1.7 p90 -80.43 -31.25 37.61 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.844 -1.785 . . . . 0.0 112.137 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.29 -55.13 31.23 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.85 -1.156 . . . . 0.0 112.156 173.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.27 -37.66 83.94 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.584 1.154 . . . . 0.0 113.528 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.0 -63.6 1.07 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.215 1.006 . . . . 0.0 113.546 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.45 -32.88 28.74 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.756 -1.215 . . . . 0.0 113.807 -169.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 p -98.82 87.37 3.73 Favored 'General case' 0 CA--C 1.504 -0.793 0 O-C-N 120.713 -1.242 . . . . 0.0 112.197 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.77 124.5 30.96 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -169.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm . . . . . 0 C--N 1.364 1.236 0 C-N-CA 128.097 2.559 . . . . 0.0 109.658 170.448 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.261 2.1 p30 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.22 -45.74 13.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 168.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.57 -50.03 73.13 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.099 -1.626 . . . . 0.0 114.071 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -73.13 -37.02 66.8 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.014 -1.054 . . . . 0.0 113.114 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.77 -18.93 7.07 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 120.248 -1.533 . . . . 0.0 113.417 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.12 134.72 41.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.601 1.56 . . . . 0.0 111.833 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 7.6 p -88.91 178.22 6.48 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 124.077 1.894 . . . . 0.0 115.729 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -46.69 -23.33 0.4 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.35 2.26 . . . . 0.0 116.805 156.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -71.17 -54.2 11.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.898 1.809 . . . . 0.0 111.295 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -54.3 -45.79 72.63 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.927 2.091 . . . . 0.0 113.273 172.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.3 -28.11 69.79 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.284 1.034 . . . . 0.0 113.255 174.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -70.43 -44.88 66.98 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.009 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.12 -47.29 93.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 CA-C-O 122.706 1.241 . . . . 0.0 111.682 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 69.2 mt -53.48 -36.0 61.2 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.875 2.07 . . . . 0.0 113.729 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 32.1 tpt85 -66.39 -39.49 89.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 125.339 2.495 . . . . 0.0 111.527 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.8 mtt -101.6 -62.75 1.22 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 111.122 -2.763 . . . . 0.0 112.005 -162.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -81.85 -46.15 14.54 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.085 0.945 . . . . 0.0 110.307 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.31 -31.31 63.95 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.2 47.14 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 125.218 1.389 . . . . 0.0 113.487 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 97.4 mt -107.7 132.05 56.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 119.071 1.435 . . . . 0.0 107.901 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -80.11 99.9 7.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.964 1.306 . . . . 0.0 112.74 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.6 mtp -113.61 38.85 2.8 Favored 'General case' 0 C--N 1.369 1.446 0 O-C-N 119.965 -1.709 . . . . 0.0 110.463 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -107.82 -10.86 15.49 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.981 1.312 . . . . 0.0 112.127 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 57.4 p -84.85 -175.02 5.59 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 123.129 1.442 . . . . 0.0 111.887 172.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.12 125.73 24.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.242 2.217 . . . . 0.0 112.035 160.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -119.16 118.47 31.45 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.656 1.183 . . . . 0.0 107.915 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 67.3 p -79.8 169.34 18.07 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.783 167.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.52 -26.55 58.16 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.154 -1.591 . . . . 0.0 112.27 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.44 -35.6 73.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.158 -1.589 . . . . 0.0 111.885 166.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.75 -39.03 84.22 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 119.386 -2.071 . . . . 0.0 114.209 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.23 -53.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.671 -1.268 . . . . 0.0 112.29 161.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.75 73.43 Favored Glycine 0 C--N 1.353 1.527 0 C-N-CA 125.205 1.383 . . . . 0.0 115.406 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -67.45 -38.22 84.16 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.219 -1.754 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -69.43 -19.33 63.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.736 -1.227 . . . . 0.0 112.19 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.12 -53.48 37.33 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.669 -1.27 . . . . 0.0 110.945 170.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.49 -26.55 60.08 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.193 -1.567 . . . . 0.0 112.695 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.08 -50.96 33.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 123.799 0.84 . . . . 0.0 112.141 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . 0.256 1.5 t -57.59 -36.01 71.15 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 118.753 -2.467 . . . . 0.0 116.184 167.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -59.93 -45.8 91.43 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.78 -1.825 . . . . 0.0 112.022 169.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -50.38 -55.1 17.17 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.817 1.247 . . . . 0.0 113.709 165.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -51.31 -42.52 61.24 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.054 -1.029 . . . . 0.0 113.427 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.1 -38.76 76.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 121.175 1.807 . . . . 0.0 112.858 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -69.32 -25.59 64.29 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.852 -1.78 . . . . 0.0 110.904 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -78.23 -14.29 59.5 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 119.839 -1.788 . . . . 0.0 111.795 170.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.0 mt -76.28 -40.46 35.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 O-C-N 118.515 -2.616 . . . . 0.0 107.496 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.74 -39.97 90.66 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 126.698 1.999 . . . . 0.0 110.936 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -37.26 -52.4 1.06 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 166.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -87.08 -31.96 20.2 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.339 1.543 . . . . 0.0 111.055 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.86 80.09 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.002 -1.061 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -77.98 12.28 1.86 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 163.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -97.89 -43.58 7.05 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 119.778 -1.826 . . . . 0.0 106.667 160.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -65.27 -47.28 77.23 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.369 -1.457 . . . . 0.0 114.094 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 16.2 tp -85.89 99.1 11.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.216 -0.928 . . . . 0.0 109.657 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -80.28 -26.78 38.74 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.238 1.415 . . . . 0.0 111.724 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -54.92 146.44 37.83 Favored Pre-proline 0 C--N 1.355 0.807 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -60.22 109.95 0.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.29 1.994 . . . . 0.0 114.592 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 10.9 p -90.98 -67.58 0.84 Allowed 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.884 1.273 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -122.14 148.18 45.23 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 130.545 3.538 . . . . 0.0 103.658 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 34.5 p -99.79 -31.89 11.3 Favored 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 119.87 -1.769 . . . . 0.0 112.121 -174.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.41 166.77 14.58 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 122.929 1.347 . . . . 0.0 113.713 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 20.6 t -91.05 82.17 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 123.348 1.547 . . . . 0.0 109.521 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 7.6 tp -86.46 43.53 1.08 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 124.082 1.896 . . . . 0.0 113.158 -170.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -143.57 -12.2 0.69 Allowed 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.962 2.105 . . . . 0.0 108.922 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 15.7 t -79.66 88.22 5.17 Favored 'General case' 0 C--N 1.362 1.125 0 O-C-N 120.42 -1.425 . . . . 0.0 110.284 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 18.63 50.6 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 121.42 3.859 . . . . 0.0 121.42 177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 611' ' ' LEU . . . . . 0.657 HD23 ' H ' ' B' ' 611' ' ' LEU . 0.3 OUTLIER -50.85 100.53 0.03 OUTLIER 'General case' 0 C--N 1.344 0.343 0 C-N-CA 129.524 3.13 . . . . 0.0 112.286 153.159 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . 0.25 57.4 m-20 80.77 -99.37 0.01 OUTLIER 'General case' 0 C--N 1.352 0.71 0 C-N-CA 127.174 2.189 . . . . 0.0 111.048 -172.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 CA--C 1.549 0.93 0 C-N-CA 124.267 1.027 . . . . 0.0 112.532 -176.668 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -102.06 165.88 10.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.377 2.671 . . . . 0.0 104.653 165.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -60.3 -23.31 64.09 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.523 -1.986 . . . . 0.0 114.302 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.98 -36.57 51.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 120.791 -1.193 . . . . 0.0 111.471 -171.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.61 -49.74 45.62 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 127.142 2.177 . . . . 0.0 115.212 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -71.28 -39.49 71.51 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.607 -1.308 . . . . 0.0 111.256 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -57.38 -52.43 56.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.009 -1.057 . . . . 0.0 112.041 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -53.1 -39.35 63.34 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.977 -1.702 . . . . 0.0 114.481 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -61.56 -55.06 35.05 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 125.303 1.441 . . . . 0.0 112.164 172.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.01 -49.51 15.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 C-N-CA 127.296 2.238 . . . . 0.0 113.736 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.75 -51.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.584 1.154 . . . . 0.0 110.896 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.2 m -56.75 -51.52 68.56 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.751 1.22 . . . . 0.0 113.019 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.04 -22.56 15.82 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.656 -1.278 . . . . 0.0 112.452 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.75 60.2 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 119.781 -1.825 . . . . 0.0 112.387 167.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 m -80.77 -49.84 10.62 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mt -32.67 -52.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 130.151 3.38 . . . . 0.0 114.777 162.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.37 -45.04 80.68 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 122.741 1.257 . . . . 0.0 113.151 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.4 mm -68.66 -57.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 125.799 1.64 . . . . 0.0 109.297 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -73.74 -40.05 63.81 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.224 -2.173 . . . . 0.0 111.702 -160.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -73.75 -52.55 12.82 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.577 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -110.89 -27.81 8.65 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.35 -1.469 . . . . 0.0 113.98 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.492 28.8 mmt180 87.92 -115.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.999 2.519 . . . . 0.0 113.987 -174.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -99.05 17.27 20.16 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.714 -1.241 . . . . 0.0 114.17 -167.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -71.45 -63.64 1.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -79.82 -32.94 14.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.259 -1.526 . . . . 0.0 108.63 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.43 -47.44 58.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.695 1.598 . . . . 0.0 113.512 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.8 -58.61 7.37 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -73.58 118.62 16.76 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.844 -164.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -69.4 -41.12 76.84 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.777 -1.202 . . . . 0.0 114.07 -163.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.88 70.22 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.709 0.804 . . . . 0.0 110.992 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.99 -33.26 70.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.933 1.693 . . . . 0.0 114.761 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -68.02 -61.75 1.72 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.717 1.207 . . . . 0.0 112.922 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.43 ' H ' HG13 ' A' ' 34' ' ' ILE . 31.6 mt -35.01 -61.01 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 129.551 3.14 . . . . 0.0 114.147 148.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.38 51.27 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 118.386 -2.696 . . . . 0.0 115.935 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -41.05 68.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 126.014 1.726 . . . . 0.0 110.879 -178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.0 mt -64.18 -48.84 74.4 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-O 121.682 0.753 . . . . 0.0 110.557 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.27 -53.33 58.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.439 1.496 . . . . 0.0 114.07 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -43.06 -51.72 5.65 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 118.218 2.673 . . . . 0.0 118.218 167.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.97 -5.18 9.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 120.196 -1.565 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.65 48.72 7.04 Favored Glycine 0 CA--C 1.495 -1.17 0 O-C-N 121.06 -1.025 . . . . 0.0 113.683 170.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -80.12 118.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 165.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 48' ' ' LYS . 51.4 p -153.3 130.74 11.36 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 123.536 0.734 . . . . 0.0 110.884 -173.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -111.91 143.36 43.0 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.63 -1.294 . . . . 0.0 110.988 170.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 54.42 22.22 3.71 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.045 1.738 . . . . 0.0 114.909 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.3 -7.48 75.52 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 119.7 -1.875 . . . . 0.0 114.917 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -101.86 135.69 42.98 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 118.378 1.089 . . . . 0.0 110.23 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HA ' HG22 ' A' ' 43' ' ' THR . 21.0 pttp -77.08 128.43 34.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 120.563 -1.336 . . . . 0.0 110.239 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.328 0.7 OUTLIER -79.12 98.27 6.48 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 119.33 -2.106 . . . . 0.0 116.145 -172.001 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -71.33 179.4 2.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.729 153.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -57.79 -35.8 71.3 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.18 -55.83 27.68 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.837 -1.165 . . . . 0.0 113.651 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.3 t -63.63 -43.54 96.52 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.968 0.907 . . . . 0.0 112.56 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.77 -52.0 61.61 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 125.82 1.648 . . . . 0.0 113.854 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -77.36 -33.46 55.29 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.625 -1.297 . . . . 0.0 113.112 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -59.64 -50.7 72.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.354 1.461 . . . . 0.0 113.338 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -36.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.765 -1.209 . . . . 0.0 112.48 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.4 t -79.44 -16.58 13.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.491 0 O-C-N 119.193 -2.192 . . . . 0.0 109.532 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.8 t -80.95 -26.21 36.81 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 126.853 2.061 . . . . 0.0 113.165 170.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -54.57 -23.87 18.61 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 120.913 3.671 . . . . 0.0 120.913 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.36 160.46 26.7 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -174.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 p -81.97 -178.22 6.92 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.202 -1.561 . . . . 0.0 113.333 -175.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.22 -51.04 61.52 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.971 1.308 . . . . 0.0 112.65 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.53 -42.7 97.02 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 124.057 0.943 . . . . 0.0 112.8 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.257 18.3 m-20 -51.2 -59.87 3.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 123.261 1.505 . . . . 0.0 114.416 173.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.5 -40.39 96.96 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.38 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -66.95 -39.73 87.35 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 123.52 0.728 . . . . 0.0 109.802 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -54.65 -48.08 72.74 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.08 0.855 . . . . 0.0 113.154 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.58 -49.0 70.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.089 -1.007 . . . . 0.0 113.193 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.5 mt -46.31 -56.06 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.042 1.737 . . . . 0.0 111.682 166.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -40.57 96.7 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 120.932 -1.105 . . . . 0.0 113.632 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.34 -52.18 36.17 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.964 0.906 . . . . 0.0 112.427 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.55 92.02 3.53 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.855 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -74.28 -47.03 37.53 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.289 1.036 . . . . 0.0 111.438 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -68.52 -37.02 79.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.709 -1.244 . . . . 0.0 111.483 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.76 -64.51 4.24 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 125.132 1.349 . . . . 0.0 114.978 171.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -71.1 -58.19 3.8 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.871 -1.37 . . . . 0.0 112.322 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -68.6 -27.55 66.14 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 121.565 -0.71 . . . . 0.0 112.852 -172.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.54 51.81 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 121.869 -0.519 . . . . 0.0 112.867 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -72.24 -47.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.076 -1.838 . . . . 0.0 113.138 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -26.58 -66.59 0.06 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 155.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.3 ttm105 -68.34 -44.88 74.33 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.931 0.892 . . . . 0.0 113.221 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.365 0.2 OUTLIER -69.55 -41.79 75.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.509 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.03 -41.35 83.02 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.826 -1.171 . . . . 0.0 112.746 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -74.72 -31.28 61.79 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.03 -30.35 18.78 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -73.78 -13.11 60.89 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.265 -1.522 . . . . 0.0 113.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -89.08 114.75 26.02 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.269 -1.52 . . . . 0.0 111.314 168.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -92.32 107.74 19.44 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 122.199 0.999 . . . . 0.0 110.988 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--N 1.353 0.73 0 C-N-CA 128.776 2.831 . . . . 0.0 117.05 166.799 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.975 0.416 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.52 -34.12 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 120.358 -1.464 . . . . 0.0 112.906 170.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 78.1 mt -75.43 -52.92 9.6 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.209 -1.557 . . . . 0.0 114.772 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -30.29 -58.38 0.19 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 117.644 2.461 . . . . 0.0 117.644 144.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 84.61 59.58 1.99 Allowed Glycine 0 CA--C 1.487 -1.702 0 C-N-CA 127.304 2.383 . . . . 0.0 111.245 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.02 148.55 45.23 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-N 121.154 2.477 . . . . 0.0 104.653 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 5.9 m -76.63 152.85 35.71 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.24 -0.913 . . . . 0.0 111.131 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.95 -33.5 62.37 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 118.86 -2.4 . . . . 0.0 114.331 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -63.47 -33.83 76.44 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.556 -1.34 . . . . 0.0 112.645 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.34 -41.58 66.32 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 125.554 1.541 . . . . 0.0 109.949 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.31 99.09 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.215 -0.928 . . . . 0.0 111.891 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -48.45 -61.59 1.93 Allowed 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.887 1.675 . . . . 0.0 115.467 168.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.51 -25.93 34.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 O-C-N 119.399 -2.063 . . . . 0.0 115.029 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.62 -49.11 64.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 110.373 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -72.1 -8.66 55.89 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 171.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.2 mtm -91.84 -65.66 0.99 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.642 -1.911 . . . . 0.0 111.534 171.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -94.64 -40.66 9.7 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.402 1.081 . . . . 0.0 112.996 -167.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -78.52 -21.99 48.02 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.879 -1.138 . . . . 0.0 111.246 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.11 16.71 57.29 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.43 1.014 . . . . 0.0 114.164 173.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 76.8 mt -102.4 121.53 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -80.85 126.0 30.8 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 120.779 -1.201 . . . . 0.0 109.296 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 15.5 ptp -142.01 52.57 1.48 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.038 0.923 . . . . 0.0 109.802 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -107.5 -20.9 13.1 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 122.277 1.037 . . . . 0.0 110.871 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 1.2 t -91.32 169.78 10.52 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.266 1.826 . . . . 0.0 109.815 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.49 113.29 1.54 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.381 2.272 . . . . 0.0 115.444 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -118.47 80.79 1.58 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.715 1.721 . . . . 0.0 108.997 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -72.41 161.37 30.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 120.654 -1.278 . . . . 0.0 111.384 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.09 -28.56 58.19 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -167.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -70.55 -41.16 72.85 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 119.517 -1.989 . . . . 0.0 111.575 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -69.9 -34.93 74.17 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 128.911 2.884 . . . . 0.0 112.133 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.38 -44.75 84.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.286 -1.509 . . . . 0.0 112.698 169.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -57.99 -48.75 80.62 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 121.103 -0.998 . . . . 0.0 114.038 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -51.92 -48.48 64.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.318 2.247 . . . . 0.0 115.662 163.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.92 -23.86 62.34 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 118.266 -2.771 . . . . 0.0 113.699 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -53.35 14.55 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.481 1.112 . . . . 0.0 113.276 175.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -39.15 -58.8 1.1 Allowed 'General case' 0 C--N 1.349 0.557 0 C-N-CA 126.66 1.984 . . . . 0.0 115.762 159.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.69 -47.81 84.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 C-N-CA 124.406 1.082 . . . . 0.0 111.91 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 29.1 m -49.61 -43.92 46.83 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 167.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -67.34 -42.86 82.85 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 119.886 -1.759 . . . . 0.0 110.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -52.21 -53.43 43.55 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.956 1.302 . . . . 0.0 110.678 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -57.59 -43.52 84.68 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 120.857 1.662 . . . . 0.0 111.088 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -58.48 -47.93 86.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 120.616 -1.303 . . . . 0.0 114.024 172.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -72.6 -22.37 60.98 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-N 123.742 2.974 . . . . 0.0 110.488 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -68.43 -40.01 81.32 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 119.998 -1.689 . . . . 0.0 114.162 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 98.6 mt -58.88 -50.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.649 -1.282 . . . . 0.0 113.529 165.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.81 -48.8 72.32 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.523 1.929 . . . . 0.0 112.399 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.35 17.68 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.077 1.751 . . . . 0.0 114.391 167.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -73.02 -34.12 66.15 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.826 -1.171 . . . . 0.0 111.943 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.47 78.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.622 1.169 . . . . 0.0 111.636 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.14 -6.31 41.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -92.91 -33.66 14.11 Favored 'General case' 0 C--N 1.345 0.37 0 O-C-N 120.103 -1.623 . . . . 0.0 109.719 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.14 -24.61 62.3 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.759 -1.838 . . . . 0.0 112.284 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.84 125.37 23.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.634 -1.292 . . . . 0.0 114.485 162.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -103.47 -48.23 4.04 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 120.173 -1.579 . . . . 0.0 110.408 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -86.9 103.97 5.18 Favored Pre-proline 0 N--CA 1.444 -0.753 0 CA-C-O 117.308 -1.33 . . . . 0.0 109.326 172.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -73.69 149.13 42.85 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 CA-C-N 124.226 2.545 . . . . 0.0 110.426 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.8 p -142.77 122.74 13.58 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 122.363 1.077 . . . . 0.0 109.07 170.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -118.36 154.75 31.86 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 174.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 50.9 m -98.78 -45.1 6.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -131.73 135.48 46.86 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 122.59 1.186 . . . . 0.0 111.132 170.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.19 33.48 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 63.5 mt -42.18 129.1 3.75 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 157.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -133.33 -53.94 0.9 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.209 1.004 . . . . 0.0 112.174 -173.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 22.9 t -150.65 -157.78 0.85 Allowed 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 172.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -72.92 27.72 0.06 Allowed 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -170.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 3.0 pp -114.22 -179.86 3.75 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.425 1.89 . . . . 0.0 111.319 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 68.44 -43.1 0.49 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 CA--C 1.554 1.111 0 O-C-N 120.541 -1.349 . . . . 0.0 110.894 179.06 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -52.35 58.67 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.953 -1.022 . . . . 0.0 112.619 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -69.91 -35.65 65.59 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 121.579 -0.701 . . . . 0.0 112.53 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -56.83 -43.73 81.34 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 119.952 -1.717 . . . . 0.0 111.925 170.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -65.11 -47.9 75.56 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.129 0.972 . . . . 0.0 111.987 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -53.79 -50.74 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 111.706 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -50.58 -48.83 57.53 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.3 1.44 . . . . 0.0 114.504 170.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -52.25 -61.83 2.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.761 1.624 . . . . 0.0 113.487 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.71 -49.19 14.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 126.363 1.865 . . . . 0.0 114.626 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.26 17.9 pt -64.4 -39.31 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 123.289 0.635 . . . . 0.0 112.612 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -61.58 -52.07 65.95 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.943 -1.098 . . . . 0.0 111.458 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.0 -31.12 49.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 124.721 1.208 . . . . 0.0 112.177 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.94 -25.28 48.18 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 119.867 -1.77 . . . . 0.0 114.139 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -70.37 -45.68 65.58 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 124.555 2.122 . . . . 0.0 109.281 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.5 mt -30.18 -64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 129.545 3.138 . . . . 0.0 115.141 152.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -49.78 -55.5 13.82 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.597 -1.315 . . . . 0.0 113.981 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 mm -48.62 -49.46 14.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 C-N-CA 129.505 3.122 . . . . 0.0 113.739 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HZ1' ' CD ' ' B' ' 555' ' ' GLU . 19.9 pttt -96.94 -24.42 15.84 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.883 -1.761 . . . . 0.0 115.686 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -76.44 -65.73 0.89 Allowed 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.781 -1.2 . . . . 0.0 111.734 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -102.87 -17.53 15.49 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 120.752 -1.217 . . . . 0.0 110.973 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.42 8.8 mtm180 72.81 -140.05 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 166.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.5 -9.59 59.67 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 120.208 -1.558 . . . . 0.0 112.229 -162.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -65.39 0.58 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.371 2.268 . . . . 0.0 113.035 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 pt -89.57 -28.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-O 121.785 0.803 . . . . 0.0 112.513 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -53.12 -46.13 54.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.377 0 C-N-CA 127.507 2.323 . . . . 0.0 113.275 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -42.77 -66.0 0.41 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 127.128 2.171 . . . . 0.0 113.924 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 108.39 4.47 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -163.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -40.68 -49.9 3.05 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.577 1.951 . . . . 0.0 115.924 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.61 77.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.02 -48.12 80.99 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.306 1.842 . . . . 0.0 111.569 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.61 -53.0 52.72 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.495 -1.378 . . . . 0.0 113.57 175.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -75.06 -32.66 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 120.798 -1.189 . . . . 0.0 109.021 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.2 65.63 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.12 -38.55 78.92 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.656 1.182 . . . . 0.0 110.63 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.9 -43.16 75.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.024 -1.047 . . . . 0.0 111.699 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -69.29 -34.44 74.72 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 119.61 -1.931 . . . . 0.0 114.524 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -36.74 -49.93 0.81 Allowed 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.826 2.05 . . . . 0.0 115.148 169.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.11 -2.14 10.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.344 1.457 . . . . 0.0 112.088 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.88 41.2 62.73 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 120.509 -1.37 . . . . 0.0 116.417 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -79.9 102.07 5.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.511 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.7 m -113.25 159.76 19.0 Favored 'General case' 0 C--N 1.365 1.256 0 O-C-N 119.7 -1.875 . . . . 0.0 107.543 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -146.83 134.15 20.66 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 49.76 25.37 1.5 Allowed 'General case' 0 C--N 1.357 0.907 0 C-N-CA 127.583 2.353 . . . . 0.0 114.56 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.55 -5.68 82.41 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 126.511 2.005 . . . . 0.0 114.605 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -106.5 136.5 46.16 Favored 'General case' 0 N--CA 1.441 -0.921 0 O-C-N 120.894 -1.357 . . . . 0.0 111.084 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -84.23 137.1 33.66 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.595 -1.315 . . . . 0.0 107.85 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.26 0.4 OUTLIER -79.4 92.71 5.24 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.463 -2.023 . . . . 0.0 115.554 -162.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -70.43 171.24 10.4 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 111.734 162.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -58.4 -28.31 65.07 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -170.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.71 -66.89 0.32 Allowed 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 112.661 161.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 m -71.95 -30.79 65.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 126.481 1.912 . . . . 0.0 113.314 -170.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.33 -49.94 74.97 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 126.094 1.758 . . . . 0.0 112.047 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -80.33 -35.16 35.98 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.143 -0.973 . . . . 0.0 110.794 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -63.21 -29.17 70.56 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 tt -74.64 -23.94 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 O-C-N 120.021 -1.674 . . . . 0.0 113.927 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.69 -41.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 127.757 2.423 . . . . 0.0 112.113 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -72.65 -53.12 12.65 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 127.152 2.181 . . . . 0.0 113.334 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -88.11 81.07 7.49 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.527 -1.983 . . . . 0.0 106.427 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.13 143.64 36.3 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.8 m -57.68 124.8 20.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 126.275 1.83 . . . . 0.0 111.651 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -46.82 -46.46 20.79 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.993 1.717 . . . . 0.0 114.976 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.69 -41.98 99.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.13 -30.73 34.47 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 120.968 -1.083 . . . . 0.0 110.841 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -59.03 -47.31 85.69 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.939 0.876 . . . . 0.0 112.139 166.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -69.2 -37.57 78.17 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 121.268 -0.895 . . . . 0.0 111.754 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.1 m -47.83 -42.88 27.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.876 1.27 . . . . 0.0 113.835 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.26 -46.38 64.53 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.744 -1.222 . . . . 0.0 111.782 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.8 mt -49.75 -51.24 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.74 1.616 . . . . 0.0 111.706 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -55.18 -61.91 2.02 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 128.168 2.587 . . . . 0.0 114.932 175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.2 -47.2 15.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.254 -0.904 . . . . 0.0 113.179 -171.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.86 71.29 2.52 Favored 'General case' 0 CA--C 1.513 -0.454 0 O-C-N 120.299 -1.5 . . . . 0.0 108.959 -176.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -45.18 -63.5 0.92 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 125.875 1.67 . . . . 0.0 114.575 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.83 -37.3 17.89 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.595 1.158 . . . . 0.0 110.697 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.88 91.56 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -73.7 -49.99 23.05 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.412 -1.64 . . . . 0.0 110.42 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -55.17 -39.2 69.26 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.535 1.134 . . . . 0.0 111.956 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.84 -61.04 4.56 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 126.552 2.025 . . . . 0.0 114.424 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.16 -46.98 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 119.505 -2.174 . . . . 0.0 112.789 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -38.34 -63.89 0.46 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 127.72 2.408 . . . . 0.0 116.273 168.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -61.14 -35.8 78.05 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 120.343 -1.473 . . . . 0.0 113.387 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -77.04 -38.29 53.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 121.194 -0.941 . . . . 0.0 111.384 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.35 -40.66 77.36 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.114 -1.616 . . . . 0.0 112.802 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.65 -30.59 64.42 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 112.128 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.4 ttp -72.82 -51.72 17.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.858 -1.151 . . . . 0.0 113.519 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -83.71 -57.07 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.368 -1.458 . . . . 0.0 113.79 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.0 p -84.21 101.64 12.02 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 120.592 -1.318 . . . . 0.0 113.2 -159.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -91.76 -166.52 1.58 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 109.687 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 pttt . . . . . 0 C--N 1.349 0.559 0 O-C-N 119.507 -1.995 . . . . 0.0 111.26 166.022 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 121.266 0.555 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.53 -42.13 74.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 125.141 1.376 . . . . 0.0 113.078 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.17 -58.64 7.33 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.807 -1.183 . . . . 0.0 114.101 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.56 -25.51 41.59 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 111.706 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.35 -2.65 8.92 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 121.193 -0.942 . . . . 0.0 115.304 160.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.293 2.1 pp -94.44 130.6 40.74 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.745 2.688 . . . . 0.0 117.323 -172.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -79.49 144.93 33.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 112.225 -2.261 . . . . 0.0 109.503 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.46 -36.56 0.58 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.761 2.024 . . . . 0.0 116.049 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -64.98 -39.97 94.26 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 122.896 1.331 . . . . 0.0 112.96 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . 0.485 ' CD ' ' HZ1' ' A' ' 20' ' ' LYS . 43.4 mt-10 -73.65 -43.19 60.13 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.644 2.378 . . . . 0.0 110.503 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.28 74.45 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.48 -0.762 . . . . 0.0 111.423 170.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -71.66 -48.91 44.5 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.433 -1.417 . . . . 0.0 110.469 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 21.0 m -62.04 -28.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.326 0 CA-C-N 121.583 1.992 . . . . 0.0 114.548 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.78 -55.18 32.79 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.107 1.363 . . . . 0.0 110.709 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.84 5.59 13.29 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.55 -1.344 . . . . 0.0 113.991 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 34.1 mtt -94.12 -62.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.336 -1.478 . . . . 0.0 110.066 166.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.994 1.318 . . . . 0.0 114.188 -165.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -87.1 -20.7 26.71 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.111 0.964 . . . . 0.0 109.933 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 90.14 3.24 73.15 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 120.829 -1.169 . . . . 0.0 114.751 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -94.02 123.42 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 118.365 1.082 . . . . 0.0 109.348 -172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -89.36 100.76 13.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.855 -1.153 . . . . 0.0 112.729 -169.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -92.2 109.25 20.62 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 164.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -174.89 -34.85 0.01 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -166.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 2.1 p -70.9 175.29 5.2 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.541 1.936 . . . . 0.0 113.334 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.68 132.2 51.5 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 111.576 167.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -122.42 115.84 22.96 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.156 -0.965 . . . . 0.0 109.801 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 20.4 m -111.27 146.21 37.42 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 11.9 mt -1.71 -62.52 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 162.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.47 -33.23 54.68 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.926 -1.109 . . . . 0.0 112.338 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.31 -43.71 66.57 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.274 1.43 . . . . 0.0 109.796 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.63 -47.36 49.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.414 1.486 . . . . 0.0 110.836 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -51.14 -55.16 20.17 Favored Glycine 0 C--N 1.353 1.502 0 C-N-CA 124.718 1.151 . . . . 0.0 114.803 171.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -71.58 -32.37 67.99 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 119.101 1.45 . . . . 0.0 108.47 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.91 -30.55 67.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 120.365 -1.459 . . . . 0.0 112.313 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -72.39 -56.72 4.99 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.394 -1.441 . . . . 0.0 112.652 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -24.73 -65.39 0.05 OUTLIER 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 152.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.97 -55.55 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.853 1.661 . . . . 0.0 111.579 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 38.0 m -48.34 -40.36 25.08 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 167.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.37 -50.96 41.38 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.994 -1.691 . . . . 0.0 110.439 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.947 0.899 . . . . 0.0 113.239 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -56.01 -37.42 69.13 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.645 -1.284 . . . . 0.0 112.648 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' B' ' 590' ' ' ILE . 76.0 mt -65.33 -38.54 82.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 120.666 -1.272 . . . . 0.0 110.307 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.51 -19.08 58.34 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 118.492 -2.63 . . . . 0.0 109.814 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -72.39 -40.83 66.94 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.283 -1.511 . . . . 0.0 112.04 165.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 587' ' ' ILE . 64.4 mt -56.18 -46.11 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 120.236 -1.54 . . . . 0.0 114.569 165.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -45.22 -60.45 2.11 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 128.425 2.69 . . . . 0.0 112.136 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.94 -51.72 4.32 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.33 2.252 . . . . 0.0 114.075 170.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -73.82 -28.82 61.81 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 123.549 0.74 . . . . 0.0 111.394 -174.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.94 -37.29 40.07 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.841 1.256 . . . . 0.0 111.249 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.1 1.48 11.02 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -91.42 -29.53 17.01 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.329 1.851 . . . . 0.0 110.727 163.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -74.2 -29.28 61.67 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 119.32 -2.113 . . . . 0.0 112.587 170.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.08 76.05 10.1 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-O 123.848 1.785 . . . . 0.0 111.276 170.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -74.93 -29.05 60.84 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.604 2.762 . . . . 0.0 114.064 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -74.86 147.47 84.05 Favored Pre-proline 0 C--N 1.348 0.537 0 O-C-N 120.907 -1.121 . . . . 0.0 112.164 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo . . . . . 0 C--O 1.234 0.297 0 C-N-CA 122.031 1.82 . . . . 0.0 115.509 176.615 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 N--CA 1.443 -0.815 0 CA-C-O 122.732 1.254 . . . . 0.0 114.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -74.81 -63.0 1.35 Allowed 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.519 -1.363 . . . . 0.0 110.334 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tp -71.56 -27.06 27.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 C-N-CA 124.395 1.078 . . . . 0.0 112.185 -166.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.98 -44.83 88.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.523 1.529 . . . . 0.0 111.572 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 m -63.59 -51.07 66.9 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 120.737 -1.227 . . . . 0.0 110.841 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.394 1.0 OUTLIER -56.88 -39.95 68.37 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 O-C-N 120.884 -1.135 . . . . 0.0 113.533 172.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -57.03 -38.57 73.35 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.053 1.741 . . . . 0.0 114.258 172.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.07 -54.83 38.05 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.563 -1.336 . . . . 0.0 110.325 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.0 -35.28 46.98 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 126.847 2.059 . . . . 0.0 114.617 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.2 mt -61.87 -52.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.516 . . . . 0.0 109.967 171.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 m -58.15 -53.59 56.57 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.264 1.426 . . . . 0.0 113.001 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -51.43 -52.0 22.12 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 C-N-CA 128.277 2.631 . . . . 0.0 113.713 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 -24.17 61.09 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 120.423 -1.423 . . . . 0.0 113.362 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -72.63 -48.03 42.83 Favored 'General case' 0 C--N 1.36 1.065 0 O-C-N 120.563 -1.336 . . . . 0.0 107.405 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -34.02 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 127.998 2.519 . . . . 0.0 116.006 155.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -52.51 -43.88 65.37 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.795 -1.815 . . . . 0.0 112.909 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.34 -54.51 27.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 C-N-CA 128.74 2.816 . . . . 0.0 112.602 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -77.58 -33.83 53.77 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 116.976 -3.578 . . . . 0.0 111.749 -169.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -80.61 -42.38 22.3 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 124.023 0.929 . . . . 0.0 112.185 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.8 -8.31 9.45 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.409 16.8 mtt180 67.05 -124.03 0.23 Allowed 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -99.62 5.98 45.79 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.018 -1.676 . . . . 0.0 111.277 -165.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -51.2 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 131.187 3.795 . . . . 0.0 114.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.7 mt -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 122.197 0.998 . . . . 0.0 109.92 -167.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 27' ' ' VAL . 48.9 t -41.47 -43.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.319 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -44.76 -59.83 2.32 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.522 1.529 . . . . 0.0 112.954 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -70.94 119.02 14.46 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.869 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.12 -35.18 76.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.47 -1.394 . . . . 0.0 114.346 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.94 64.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.755 -1.216 . . . . 0.0 112.818 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.5 -34.51 71.0 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.109 1.364 . . . . 0.0 114.145 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.9 -70.18 0.19 Allowed 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.215 -1.553 . . . . 0.0 113.754 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.4 mm -22.52 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 128.453 2.701 . . . . 0.0 115.269 149.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.49 63.79 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 119.864 -1.773 . . . . 0.0 115.682 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -44.61 76.21 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.99 1.316 . . . . 0.0 111.286 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.69 -47.46 86.16 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 122.565 1.174 . . . . 0.0 110.468 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.94 -51.21 65.45 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 120.612 -1.305 . . . . 0.0 113.555 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.7 -57.28 3.28 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 167.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 pt -83.48 -11.38 11.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 119.666 -1.896 . . . . 0.0 111.67 -171.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.05 55.15 1.41 Allowed Glycine 0 CA--C 1.49 -1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 113.002 163.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.94 109.68 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 121.723 -0.869 . . . . 0.0 109.034 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -107.22 145.12 33.04 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 120.292 -1.505 . . . . 0.0 112.142 -167.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -151.03 132.29 14.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 164.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 56.55 19.98 4.57 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.2 -2.59 71.67 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.34 -1.475 . . . . 0.0 114.081 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -103.48 154.76 19.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.306 -1.703 . . . . 0.0 108.588 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -90.74 133.46 35.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 163.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.387 1.0 OUTLIER -72.72 102.31 3.31 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 124.738 2.209 . . . . 0.0 116.563 -166.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -69.04 177.86 2.49 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.597 1.959 . . . . 0.0 113.412 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -58.32 -36.98 74.19 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.64 -58.42 6.35 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.677 1.591 . . . . 0.0 113.331 166.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.0 t -65.19 -32.49 74.19 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.528 1.531 . . . . 0.0 113.481 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -63.44 -57.46 10.2 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 125.757 1.623 . . . . 0.0 111.755 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -76.07 -11.16 59.89 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 119.591 -1.943 . . . . 0.0 112.461 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -62.5 -48.04 81.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.745 -1.222 . . . . 0.0 113.736 165.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.6 pt -67.37 -24.49 31.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 119.773 -1.829 . . . . 0.0 113.214 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.77 -36.14 63.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.677 1.191 . . . . 0.0 111.458 169.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 -48.32 70.72 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 119.732 -1.855 . . . . 0.0 113.181 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.93 -18.29 55.99 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 127.716 2.407 . . . . 0.0 117.293 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.29 150.06 20.65 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.206 -1.559 . . . . 0.0 111.02 174.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.1 p -86.72 173.87 9.2 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-O 124.414 2.054 . . . . 0.0 114.176 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -55.23 -35.62 65.14 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.257 -2.152 . . . . 0.0 115.785 161.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -70.33 -52.35 23.36 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 120.411 -1.431 . . . . 0.0 113.51 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.308 1.0 OUTLIER -38.54 -58.1 1.08 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 124.446 2.069 . . . . 0.0 115.25 165.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -58.99 -42.07 89.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.583 2.353 . . . . 0.0 114.157 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -72.59 -40.58 66.46 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 124.428 1.091 . . . . 0.0 109.917 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.4 m -52.12 -45.15 64.83 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.939 2.096 . . . . 0.0 112.35 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -58.96 5.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.08 2.152 . . . . 0.0 112.827 171.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -48.52 -46.63 14.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 C-N-CA 124.75 1.22 . . . . 0.0 112.662 172.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -36.36 82.98 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.45 -1.406 . . . . 0.0 114.26 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -80.03 -56.23 4.39 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.034 1.334 . . . . 0.0 111.669 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -104.7 78.7 1.47 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.045 2.138 . . . . 0.0 109.087 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -60.27 -64.94 0.78 Allowed 'General case' 0 C--N 1.351 0.63 0 C-N-CA 125.53 1.532 . . . . 0.0 113.026 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.87 -41.64 59.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.089 0.956 . . . . 0.0 110.188 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.97 -58.86 12.06 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 126.596 2.046 . . . . 0.0 116.525 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -82.49 -44.84 15.47 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.751 -1.44 . . . . 0.0 111.471 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.82 -32.54 73.75 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.237 0.926 . . . . 0.0 111.757 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.27 -50.38 40.64 Favored Glycine 0 C--N 1.35 1.346 0 C-N-CA 124.712 1.148 . . . . 0.0 115.275 164.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.56 -49.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.608 2.204 . . . . 0.0 111.315 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -28.48 -54.72 0.11 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.484 2.314 . . . . 0.0 116.815 156.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -57.85 -28.87 64.51 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.41 -38.51 13.25 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.69 -1.256 . . . . 0.0 110.791 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -35.58 77.01 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 127.265 2.226 . . . . 0.0 114.519 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.14 -12.57 46.65 Favored 'General case' 0 C--N 1.346 0.413 0 O-C-N 120.179 -1.575 . . . . 0.0 112.705 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.5 ttm -92.02 -51.89 4.98 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.518 1.527 . . . . 0.0 112.421 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.62 -3.51 58.53 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.655 -1.278 . . . . 0.0 113.608 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.5 t -77.69 122.43 25.33 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 123.145 1.45 . . . . 0.0 113.316 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -92.17 148.79 21.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.691 -1.255 . . . . 0.0 110.542 173.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt . . . . . 0 C--N 1.358 0.948 0 O-C-N 119.547 -1.97 . . . . 0.0 110.635 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.224 -0.262 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.98 -47.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.319 1.448 . . . . 0.0 112.138 168.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.9 -54.15 43.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 113.157 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -75.44 -23.71 56.97 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 120.011 -1.681 . . . . 0.0 109.74 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 79.76 66.98 1.62 Allowed Glycine 0 CA--C 1.48 -2.137 0 C-N-CA 126.336 1.922 . . . . 0.0 111.213 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.4 pp -136.49 140.18 42.85 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 101.997 -3.334 . . . . 0.0 101.997 173.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 76.5 p -81.34 168.36 18.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.519 1.152 . . . . 0.0 111.434 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.84 -19.93 61.9 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.254 -2.154 . . . . 0.0 110.891 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -73.02 -28.27 62.25 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 123.103 1.43 . . . . 0.0 111.1 176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.04 -44.19 73.15 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.071 1.348 . . . . 0.0 110.306 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.54 77.84 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.57 -1.331 . . . . 0.0 114.123 168.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -56.05 -58.33 8.38 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 122.214 1.007 . . . . 0.0 112.512 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.1 p -70.39 -23.75 24.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.144 -1.597 . . . . 0.0 115.257 -170.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.42 -42.39 87.81 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.813 -1.179 . . . . 0.0 111.474 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -55.77 -61.88 2.06 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 120.885 -1.134 . . . . 0.0 113.179 156.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -56.58 -66.62 0.41 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -89.19 -35.15 16.38 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.91 -1.118 . . . . 0.0 113.467 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -88.95 -21.32 23.61 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.833 -1.167 . . . . 0.0 111.158 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.21 46.9 9.65 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.386 -2.071 . . . . 0.0 114.686 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 2.7 mt -116.3 122.81 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -96.75 111.69 23.75 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -153.61 38.2 0.47 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 -166.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.18 73.78 1.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -169.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.6 t -140.19 -155.02 0.55 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 120.236 -1.54 . . . . 0.0 111.405 -150.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.2 129.18 37.33 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.412 1.485 . . . . 0.0 110.77 165.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.12 123.3 40.52 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 120.623 -1.298 . . . . 0.0 108.733 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 58.3 m -117.97 152.67 35.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -27.4 -58.14 0.1 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 128.246 2.618 . . . . 0.0 117.882 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -69.94 -38.62 76.21 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 120.299 -1.5 . . . . 0.0 111.274 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.54 -44.17 83.14 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.487 1.515 . . . . 0.0 112.056 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 16.9 t -51.07 -53.93 12.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 126.138 1.775 . . . . 0.0 111.332 171.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -63.75 -47.86 82.43 Favored Glycine 0 C--N 1.348 1.219 0 C-N-CA 124.715 1.15 . . . . 0.0 112.744 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -66.44 -39.24 88.79 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 123.306 1.527 . . . . 0.0 108.853 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.87 -27.26 69.22 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 127.163 2.185 . . . . 0.0 112.092 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.39 -61.99 1.59 Allowed 'General case' 0 C--N 1.349 0.576 0 C-N-CA 125.395 1.478 . . . . 0.0 111.324 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.02 -48.08 52.85 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 130.212 3.405 . . . . 0.0 117.35 163.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 70.3 t -48.88 -66.25 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.159 0.983 . . . . 0.0 112.196 162.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -9.91 57.78 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 -176.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -66.68 -48.59 68.85 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.674 -1.891 . . . . 0.0 107.737 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.3 -26.13 62.65 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.306 -1.315 . . . . 0.0 113.287 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -67.08 -33.04 74.64 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 118.929 -2.357 . . . . 0.0 112.122 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.95 -45.93 86.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 119.914 -1.741 . . . . 0.0 111.934 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -58.19 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 154.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -48.82 -51.38 29.78 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.99 -47.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 125.427 1.491 . . . . 0.0 112.786 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.83 -51.82 67.69 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.514 1.926 . . . . 0.0 111.484 -172.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -50.15 -45.2 52.97 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.911 1.685 . . . . 0.0 113.465 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -70.96 -47.87 56.52 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.445 1.098 . . . . 0.0 112.591 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.95 -39.88 66.31 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.732 1.613 . . . . 0.0 112.83 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 57.3 mt -75.45 -11.42 60.03 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.885 -1.134 . . . . 0.0 113.338 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -74.07 -26.36 60.34 Favored 'General case' 0 C--N 1.377 1.771 0 CA-C-N 122.754 2.525 . . . . 0.0 106.873 -169.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -24.57 56.31 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 131.05 3.74 . . . . 0.0 112.041 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 18.4 tp -74.45 137.89 42.9 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 163.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -131.28 -36.15 1.31 Allowed 'General case' 0 CA--C 1.503 -0.856 0 O-C-N 120.703 -1.248 . . . . 0.0 111.152 -162.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -78.24 152.9 79.35 Favored Pre-proline 0 C--N 1.349 0.569 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 163.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo . . . . . 0 C--N 1.324 -0.73 0 CA-C-N 122.864 2.059 . . . . 0.0 112.287 -179.669 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 123.404 1.574 . . . . 0.0 114.333 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -57.9 -44.46 86.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.591 2.356 . . . . 0.0 115.854 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.02 -30.34 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 125.485 1.514 . . . . 0.0 114.511 -169.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.25 -57.18 2.64 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.063 2.145 . . . . 0.0 114.212 168.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.6 m -79.58 -33.62 41.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.32 1.448 . . . . 0.0 110.002 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -54.13 -57.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 C-N-CA 124.581 1.152 . . . . 0.0 112.343 168.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -44.34 -48.97 9.7 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.055 1.742 . . . . 0.0 113.083 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -56.05 26.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 125.249 1.419 . . . . 0.0 113.796 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.23 -47.94 32.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.506 1.922 . . . . 0.0 113.752 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -59.25 -44.49 92.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 124.875 1.27 . . . . 0.0 111.794 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 m -59.63 -52.32 66.03 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.532 -1.355 . . . . 0.0 112.346 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.3 -30.93 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.608 1.163 . . . . 0.0 110.456 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.12 96.35 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 117.612 -3.18 . . . . 0.0 115.753 162.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -77.09 -42.22 39.03 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 121.655 2.025 . . . . 0.0 109.401 -164.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.0 mt -33.41 -62.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.927 0 C-N-CA 129.433 3.093 . . . . 0.0 114.248 158.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -56.16 -43.39 78.3 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-O 122.466 1.127 . . . . 0.0 113.746 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.32 -55.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 124.589 1.156 . . . . 0.0 112.413 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -71.72 -49.89 35.17 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 118.548 -2.595 . . . . 0.0 110.735 -171.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -72.08 -43.11 65.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.602 1.161 . . . . 0.0 113.139 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 p -116.02 -13.54 11.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.391 0.1 OUTLIER 61.18 -116.89 0.69 Allowed 'General case' 0 C--O 1.222 -0.355 0 O-C-N 119.819 -1.801 . . . . 0.0 112.495 -172.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -106.91 0.09 23.59 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.007 -1.683 . . . . 0.0 113.132 -163.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.07 -55.02 40.1 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 125.344 1.458 . . . . 0.0 113.93 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' A' ' 36' ' ' PHE . 4.8 mp -89.14 -46.31 15.36 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.767 -1.208 . . . . 0.0 110.434 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 27' ' ' VAL . 5.6 t -35.96 -47.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 C-N-CA 129.487 3.115 . . . . 0.0 117.142 174.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.19 -33.86 74.14 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 123.776 1.751 . . . . 0.0 113.715 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -85.05 82.94 8.22 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -171.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -58.77 -29.74 67.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -159.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -34.61 78.42 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.595 -1.94 . . . . 0.0 114.458 170.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -33.16 74.24 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -61.14 -62.62 1.71 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.141 1.376 . . . . 0.0 113.901 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -22.61 -62.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 129.363 3.065 . . . . 0.0 112.269 144.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -40.33 75.58 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 118.322 -2.736 . . . . 0.0 116.289 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -67.09 -42.64 84.3 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.231 1.413 . . . . 0.0 113.112 178.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.35 -42.83 99.33 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 119.875 -1.766 . . . . 0.0 112.498 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -76.65 -30.83 56.99 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.738 -1.226 . . . . 0.0 111.752 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -41.76 -60.19 1.44 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 128.006 2.522 . . . . 0.0 115.464 165.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.2 pt -89.19 6.77 3.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.158 0.98 . . . . 0.0 111.298 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.95 49.94 6.16 Favored Glycine 0 C--N 1.346 1.089 0 C-N-CA 125.77 1.653 . . . . 0.0 114.798 158.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -96.35 135.07 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -144.49 179.02 7.54 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -150.91 128.2 11.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.77 17.82 4.43 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.53 -8.4 74.57 Favored Glycine 0 C--N 1.356 1.663 0 O-C-N 120.216 -1.552 . . . . 0.0 113.014 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -102.55 143.04 32.76 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 120.855 -1.379 . . . . 0.0 108.55 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -74.68 145.15 43.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 120.468 -1.395 . . . . 0.0 110.954 169.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.73 74.17 9.19 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.086 -1.634 . . . . 0.0 112.625 -176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -75.02 -171.11 1.26 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.454 -1.404 . . . . 0.0 109.42 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -49.34 -43.05 43.44 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.992 -1.692 . . . . 0.0 114.669 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -58.97 -67.99 0.31 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-O 122.778 1.275 . . . . 0.0 113.896 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 p -76.65 -23.18 53.3 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 126.663 1.985 . . . . 0.0 112.962 -165.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.03 -48.53 81.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.323 1.049 . . . . 0.0 110.949 164.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -75.09 -28.78 60.42 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 120.34 -1.475 . . . . 0.0 111.482 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.82 -25.75 66.6 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.149 -1.594 . . . . 0.0 114.755 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 tt -81.02 -35.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 O-C-N 119.985 -1.697 . . . . 0.0 113.637 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -86.22 -34.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 127.325 2.25 . . . . 0.0 115.081 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -70.97 -58.49 3.53 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.263 1.825 . . . . 0.0 112.106 164.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.43 66.71 6.47 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.322 -2.111 . . . . 0.0 108.28 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.1 tp -122.35 147.77 45.87 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.59 3.556 . . . . 0.0 103.956 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -71.41 -174.78 1.12 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.647 -1.283 . . . . 0.0 113.039 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -83.44 -54.79 4.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.055 -1.653 . . . . 0.0 109.807 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -55.54 -46.88 77.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.978 1.711 . . . . 0.0 115.099 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.83 -28.65 24.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.986 -171.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.07 98.94 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.474 1.488 . . . . 0.0 111.074 165.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -68.34 -44.7 74.73 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 124.91 1.284 . . . . 0.0 110.937 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.4 m -50.01 -43.64 50.71 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.311 2.245 . . . . 0.0 113.751 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.66 -47.37 69.72 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.463 1.505 . . . . 0.0 111.009 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -53.52 -53.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 C-N-CA 123.842 0.857 . . . . 0.0 112.471 169.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -51.87 -33.05 34.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.123 1.769 . . . . 0.0 115.036 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -81.57 -53.67 6.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.052 1.341 . . . . 0.0 112.435 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.6 68.87 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.157 1.783 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -60.27 -54.79 41.57 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 124.95 1.3 . . . . 0.0 112.548 -170.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.2 -40.18 6.19 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 119.416 -2.053 . . . . 0.0 114.461 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.02 -54.08 21.03 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 119.628 1.714 . . . . 0.0 110.47 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -57.6 -40.07 78.24 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.185 1.794 . . . . 0.0 111.752 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.96 -56.34 12.97 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 125.742 1.639 . . . . 0.0 115.476 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.04 -39.67 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.227 2.014 . . . . 0.0 112.46 -168.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -43.83 71.5 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.403 -1.436 . . . . 0.0 110.145 -170.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -62.0 -46.74 87.89 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.446 0.1 OUTLIER -74.49 -17.97 60.68 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.314 -1.491 . . . . 0.0 113.982 -179.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.6 tp -71.3 -54.16 11.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.458 -0.776 . . . . 0.0 112.22 162.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -64.54 -32.93 74.78 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -16.37 62.68 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.252 -1.53 . . . . 0.0 113.495 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -72.51 -35.3 68.08 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.848 0.859 . . . . 0.0 113.074 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 p -93.53 135.54 34.69 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.057 1.408 . . . . 0.0 113.523 -166.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -115.67 153.97 30.35 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.703 -1.248 . . . . 0.0 111.972 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--N 1.36 1.037 0 O-C-N 119.839 -1.788 . . . . 0.0 111.112 177.623 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.446 -0.654 0 CA-C-O 121.001 0.429 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.65 -45.34 98.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.948 -1.095 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.37 -56.84 16.95 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.18 -26.13 42.71 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 119.763 1.165 . . . . 0.0 112.945 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 112.58 -33.23 5.76 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.076 -1.64 . . . . 0.0 111.668 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.34 115.72 18.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.971 0.891 . . . . 0.0 111.52 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 170.54 8.51 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 126.078 1.751 . . . . 0.0 114.539 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.98 -44.9 1.13 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 170.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -70.52 -38.39 74.25 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.275 1.512 . . . . 0.0 111.168 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.87 -52.56 59.46 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 129.047 2.939 . . . . 0.0 111.511 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.4 74.43 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.415 0.686 . . . . 0.0 112.808 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -70.07 -42.97 72.1 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.744 -1.223 . . . . 0.0 111.377 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.28 -29.69 48.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 119.902 -1.749 . . . . 0.0 113.075 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.0 -40.42 76.55 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.931 1.292 . . . . 0.0 112.252 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.5 mtm-85 -79.34 -37.64 37.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.58 1.152 . . . . 0.0 112.484 167.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 91.1 mtp -71.56 -59.44 2.76 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 117.388 -3.32 . . . . 0.0 114.683 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -92.78 -55.22 3.45 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.667 -1.271 . . . . 0.0 112.279 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -70.12 -23.14 62.98 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 112.493 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 73.8 42.81 37.36 Favored Glycine 0 C--N 1.349 1.269 0 C-N-CA 125.506 1.527 . . . . 0.0 116.136 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 48.9 mt -112.83 123.4 68.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 119.502 1.651 . . . . 0.0 107.568 171.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -89.92 97.7 11.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.339 -1.476 . . . . 0.0 112.531 -165.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.5 mtm -111.32 53.26 0.72 Allowed 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.386 -1.446 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -116.2 -24.08 8.15 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.445 -1.41 . . . . 0.0 111.172 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 10.5 p -74.97 -170.57 1.13 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.013 2.125 . . . . 0.0 113.36 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.23 125.82 27.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 119.526 -1.984 . . . . 0.0 113.332 168.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -122.01 139.86 53.17 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.662 1.185 . . . . 0.0 108.137 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . 0.446 ' H ' ' HG3' ' B' ' 575' ' ' GLU . 55.3 p -97.11 173.37 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 165.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 59.5 mt -71.81 -20.27 61.87 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.428 -1.42 . . . . 0.0 111.198 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -70.45 -43.77 69.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.243 -0.911 . . . . 0.0 111.865 167.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' B' ' 572' ' ' THR . 33.3 mm-40 -59.59 -44.96 93.19 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 120.542 -1.349 . . . . 0.0 112.589 177.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 26.3 t -58.6 -48.33 85.98 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.89 1.276 . . . . 0.0 112.2 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.67 -43.33 99.41 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 124.951 1.263 . . . . 0.0 113.237 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -70.25 -27.01 64.11 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.148 -1.207 . . . . 0.0 109.712 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -21.69 63.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -74.22 -52.92 10.94 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.237 1.38 . . . . 0.0 110.493 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -34.61 -66.84 0.16 Allowed 'General case' 0 C--N 1.345 0.375 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 149.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 82.8 t -51.52 -56.46 5.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 119.634 1.107 . . . . 0.0 112.268 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 8.6 m -40.2 -54.27 2.36 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 163.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -68.5 -42.01 79.23 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.514 -1.991 . . . . 0.0 112.341 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -59.57 -46.84 87.74 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.546 1.938 . . . . 0.0 111.611 172.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -59.54 -43.57 93.47 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.492 -1.38 . . . . 0.0 112.259 172.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.98 -37.47 77.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 C-N-CA 125.041 1.336 . . . . 0.0 112.14 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -20.51 61.12 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 121.692 2.042 . . . . 0.0 109.146 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -78.06 -32.96 51.08 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.15 -2.218 . . . . 0.0 112.642 168.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 69.1 mt -55.91 -46.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 119.546 -1.971 . . . . 0.0 113.529 163.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -54.76 -54.63 39.55 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.411 2.684 . . . . 0.0 111.541 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.11 -55.83 6.47 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.618 1.567 . . . . 0.0 114.495 168.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -66.26 -45.11 81.69 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.943 -1.098 . . . . 0.0 112.692 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.07 73.92 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 73.0 mt -75.48 0.83 15.8 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 171.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -99.08 -34.32 10.44 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.07 -1.644 . . . . 0.0 108.983 165.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -68.04 -38.82 82.95 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 119.671 -1.893 . . . . 0.0 114.275 170.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' B' ' 599' ' ' ARG . 12.8 tp -76.95 166.46 23.3 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.727 -1.233 . . . . 0.0 109.805 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . 0.428 ' H ' ' HG ' ' B' ' 598' ' ' LEU . 3.7 tpt180 -156.52 -39.63 0.08 Allowed 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.531 -1.356 . . . . 0.0 109.483 -160.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.92 150.55 97.73 Favored Pre-proline 0 C--N 1.351 0.645 0 C-N-CA 124.301 1.04 . . . . 0.0 111.493 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo . . . . . 0 N--CA 1.458 -0.588 0 C-N-CA 121.78 1.653 . . . . 0.0 112.562 -177.622 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? . . . . . 0 N--CA 1.446 -0.669 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.7 -34.56 71.44 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.627 1.171 . . . . 0.0 112.695 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 mm -65.89 -27.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 121.326 -0.859 . . . . 0.0 113.026 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.9 -41.53 95.52 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.199 -1.563 . . . . 0.0 111.672 171.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -63.78 -43.05 97.5 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.145 -1.597 . . . . 0.0 111.946 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.33 -52.19 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.957 0.903 . . . . 0.0 112.59 173.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -50.33 -45.37 54.84 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 126.988 2.115 . . . . 0.0 113.78 168.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -57.48 -55.94 28.26 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.604 1.562 . . . . 0.0 113.062 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -45.89 -49.51 4.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 127.484 2.314 . . . . 0.0 113.946 168.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.58 -48.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-O 122.45 1.119 . . . . 0.0 110.04 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -63.73 -50.69 68.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.742 0.817 . . . . 0.0 113.1 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.64 -26.43 16.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.171 -1.581 . . . . 0.0 112.312 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.17 -17.18 59.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.979 -1.075 . . . . 0.0 113.183 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 m -73.8 -48.16 33.49 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.826 -1.796 . . . . 0.0 107.514 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.9 mt -32.71 -49.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 130.954 3.701 . . . . 0.0 115.752 154.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 -53.16 59.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.376 -2.077 . . . . 0.0 113.353 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 mt -81.12 -56.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 125.981 1.712 . . . . 0.0 115.122 -170.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -68.5 -46.95 68.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.348 2.499 . . . . 0.0 111.362 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -90.69 -48.61 6.95 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 130.32 3.448 . . . . 0.0 112.181 -163.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -105.15 -12.95 15.88 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 121.975 2.171 . . . . 0.0 116.09 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 82.3 165.43 0.13 Allowed 'General case' 0 C--N 1.343 0.324 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 163.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -38.35 -23.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.823 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -42.15 96.57 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 121.027 1.74 . . . . 0.0 115.147 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.4 pt -82.75 -36.14 13.02 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 O-C-N 120.085 -1.635 . . . . 0.0 111.315 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 14.1 t -46.95 -49.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.359 1.017 0 C-N-CA 126.951 2.101 . . . . 0.0 113.499 167.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -42.53 -43.8 3.87 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 128.051 2.541 . . . . 0.0 114.673 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -95.49 103.14 15.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -60.19 -38.9 84.69 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.276 -1.515 . . . . 0.0 113.207 -169.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -59.82 4.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.18 -47.8 71.64 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.315 2.246 . . . . 0.0 113.413 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 27' ' ' VAL . 45.7 t80 -60.79 -53.28 59.31 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.718 1.607 . . . . 0.0 112.51 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.47 -36.42 48.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.051 0 O-C-N 119.475 -2.016 . . . . 0.0 109.07 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -16.59 6.03 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -29.52 68.25 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.845 0.858 . . . . 0.0 111.322 173.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.75 -49.7 20.04 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.005 -1.684 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -49.93 -61.83 1.91 Allowed 'General case' 0 C--N 1.357 0.899 0 C-N-CA 127.553 2.341 . . . . 0.0 113.043 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -29.24 -52.18 0.11 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.496 2.718 . . . . 0.0 117.049 168.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.9 pt -95.86 -8.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 O-C-N 121.09 -1.006 . . . . 0.0 112.526 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.62 42.5 5.43 Favored Glycine 0 C--N 1.347 1.184 0 O-C-N 120.858 -1.151 . . . . 0.0 115.313 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.7 t -86.45 111.21 21.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 118.836 1.318 . . . . 0.0 107.583 168.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -118.54 167.3 11.74 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.763 -1.211 . . . . 0.0 111.132 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -135.67 132.72 37.34 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.2 31.52 0.56 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.08 1.88 72.08 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 126.274 1.892 . . . . 0.0 114.498 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -107.29 138.51 43.35 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 120.913 -1.345 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -74.51 132.26 41.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.675 -1.265 . . . . 0.0 108.868 166.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 92.03 9.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.716 -1.865 . . . . 0.0 114.015 -170.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -74.87 173.37 10.7 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.997 1.319 . . . . 0.0 110.937 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -30.18 -63.13 0.14 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -48.45 -61.94 1.75 Allowed 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.21 2.204 . . . . 0.0 114.546 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.7 t -63.76 -40.03 95.71 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 126.979 2.112 . . . . 0.0 113.308 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.24 -57.34 13.47 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.78 2.032 . . . . 0.0 113.521 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -70.78 -26.42 63.33 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.996 -1.69 . . . . 0.0 113.999 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -65.08 -42.77 93.78 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 119.671 -1.893 . . . . 0.0 113.537 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.271 11.4 tt -60.13 -53.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 O-C-N 120.81 -1.181 . . . . 0.0 112.183 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.03 -30.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 CA-C-N 120.807 1.64 . . . . 0.0 111.169 -167.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.6 t -86.12 -17.26 35.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.937 -1.727 . . . . 0.0 114.521 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -95.16 17.2 14.61 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 123.586 2.903 . . . . 0.0 112.894 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.36 155.56 38.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 120.014 -1.679 . . . . 0.0 113.054 167.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.56 156.51 20.72 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 126.094 1.758 . . . . 0.0 110.482 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -66.85 -42.56 85.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.92 -52.5 56.09 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 125.342 1.457 . . . . 0.0 114.077 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.326 8.5 m-20 -45.92 -50.35 14.67 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 129.345 3.058 . . . . 0.0 116.456 160.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -56.43 -41.57 76.61 Favored 'General case' 0 C--N 1.373 1.627 0 O-C-N 120.196 -1.565 . . . . 0.0 112.867 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.9 tptt -72.75 -22.07 60.91 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 121.059 -1.025 . . . . 0.0 111.636 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -55.73 -46.48 77.76 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.179 -1.576 . . . . 0.0 111.442 164.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.07 -46.36 62.07 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.54 -1.35 . . . . 0.0 113.324 173.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 67' ' ' LYS . 77.0 mt -55.12 -45.63 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.168 0.987 . . . . 0.0 112.877 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.55 -62.62 1.51 Allowed 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.501 -1.374 . . . . 0.0 113.358 170.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.08 -48.6 57.06 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.96 73.36 1.52 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.858 1.263 . . . . 0.0 109.323 -175.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -48.07 71.36 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.329 -1.482 . . . . 0.0 111.54 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.9 -35.46 78.53 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.432 -0.792 . . . . 0.0 111.378 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -62.41 5.44 Favored Glycine 0 C--N 1.345 1.052 0 C-N-CA 124.074 0.845 . . . . 0.0 113.934 172.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -75.9 -49.57 17.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.305 -1.703 . . . . 0.0 114.215 -170.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -71.75 -33.13 68.42 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 121.073 -1.017 . . . . 0.0 110.588 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.38 -40.92 92.8 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-O 119.426 -0.652 . . . . 0.0 113.76 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.77 -61.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 119.91 1.855 . . . . 0.0 112.745 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.278 7.5 p90 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 -166.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -68.06 -35.42 78.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.663 -1.273 . . . . 0.0 112.787 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -70.85 -51.66 25.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.488 1.115 . . . . 0.0 110.588 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 mt -47.62 -55.01 10.27 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 125.634 1.574 . . . . 0.0 113.747 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.98 -3.03 56.74 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -34.74 11.52 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.727 -1.233 . . . . 0.0 111.935 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -35.93 11.5 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.472 -1.393 . . . . 0.0 114.026 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 m -101.22 120.07 39.69 Favored 'General case' 0 CA--C 1.503 -0.844 0 O-C-N 120.409 -1.432 . . . . 0.0 107.878 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -91.38 162.83 14.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.741 0.782 . . . . 0.0 110.772 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm . . . . . 0 C--N 1.35 0.618 0 O-C-N 120.552 -1.343 . . . . 0.0 111.528 -173.663 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 CA--C 1.543 0.682 0 CA-C-O 121.118 0.485 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 49.5 t -48.7 -46.43 15.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 C-N-CA 127.024 2.129 . . . . 0.0 114.21 168.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.2 -40.86 71.26 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -84.19 -31.57 25.04 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.253 -1.53 . . . . 0.0 111.599 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 126.39 -9.34 7.37 Favored Glycine 0 CA--C 1.492 -1.353 0 O-C-N 120.849 -1.157 . . . . 0.0 112.266 165.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pp -83.3 131.45 35.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.539 1.637 . . . . 0.0 111.202 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 73.1 p -77.52 173.03 12.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 119.715 -1.866 . . . . 0.0 115.573 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.95 68.78 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.165 -1.585 . . . . 0.0 114.105 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -73.74 -17.76 61.07 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 122.604 1.192 . . . . 0.0 112.781 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.65 -39.82 43.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.564 -1.335 . . . . 0.0 110.12 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.71 72.97 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.224 1.01 . . . . 0.0 111.694 172.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -58.42 6.29 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.255 1.503 . . . . 0.0 114.569 164.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.29 -35.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 O-C-N 119.803 -1.811 . . . . 0.0 113.948 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.53 -46.93 83.75 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.884 1.274 . . . . 0.0 111.512 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.4 -29.82 64.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.127 -1.608 . . . . 0.0 112.759 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 32.5 mtp -81.09 -61.96 1.8 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-N 122.907 2.594 . . . . 0.0 114.28 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -90.2 -34.41 15.82 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.774 -1.204 . . . . 0.0 113.28 -169.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.12 -33.68 20.82 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.888 -0.508 . . . . 0.0 109.852 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 85.2 29.37 28.15 Favored Glycine 0 C--N 1.346 1.136 0 C-N-CA 124.974 1.273 . . . . 0.0 114.902 -174.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.03 120.87 64.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.744 1.772 . . . . 0.0 109.657 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.46 109.6 21.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.723 0.809 . . . . 0.0 109.58 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 4.8 ptm -122.65 50.04 1.55 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.839 1.256 . . . . 0.0 110.19 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -119.41 -36.74 3.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.962 1.305 . . . . 0.0 111.99 -152.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 m -94.3 -121.0 0.1 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.29 1.036 . . . . 0.0 109.167 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.43 107.92 19.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 122.894 2.588 . . . . 0.0 110.738 -167.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -119.93 123.31 43.25 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -85.48 179.03 7.22 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 122.496 1.141 . . . . 0.0 111.753 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . 0.461 HD22 ' H ' ' B' ' 573' ' ' LEU . 0.7 OUTLIER -76.08 -20.24 57.88 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.355 -1.466 . . . . 0.0 110.652 -178.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -69.93 -41.06 75.09 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 122.195 0.998 . . . . 0.0 109.933 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -76.47 -40.88 49.08 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.519 1.528 . . . . 0.0 114.732 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.01 -34.96 50.27 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 123.321 1.534 . . . . 0.0 111.241 163.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.14 39.4 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.158 -1.589 . . . . 0.0 112.794 169.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.48 -32.93 74.1 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 122.284 1.04 . . . . 0.0 109.736 -167.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -69.64 -25.25 63.83 Favored 'General case' 0 C--N 1.361 1.067 0 O-C-N 120.455 -1.403 . . . . 0.0 112.549 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -22.78 64.73 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 118.983 -2.323 . . . . 0.0 113.828 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -81.11 -67.76 0.75 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.415 1.486 . . . . 0.0 113.295 158.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 55.5 t -47.49 -63.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 C-N-CA 127.124 2.169 . . . . 0.0 114.642 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 5.1 m -59.68 -25.63 64.9 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -44.3 67.79 Favored 'General case' 0 C--N 1.363 1.171 0 O-C-N 118.679 -2.513 . . . . 0.0 109.949 173.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.61 -47.55 76.36 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.12 169.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -54.32 -43.97 71.65 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 120.044 -1.66 . . . . 0.0 113.529 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.39 -41.73 88.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.264 -1.522 . . . . 0.0 112.257 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -19.56 60.28 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 122.024 2.193 . . . . 0.0 108.777 -177.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.21 -36.37 69.15 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.239 -2.163 . . . . 0.0 113.338 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 63.6 mt -56.9 -48.17 81.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 126.361 1.864 . . . . 0.0 112.568 163.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.97 -55.87 27.51 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.059 2.144 . . . . 0.0 110.929 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -42.02 -47.84 4.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.561 1.944 . . . . 0.0 115.315 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -65.05 -48.33 74.19 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.757 -1.214 . . . . 0.0 112.323 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.84 -36.86 63.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.08 -13.28 60.47 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.179 -1.576 . . . . 0.0 114.022 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -92.5 -32.36 14.9 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.103 2.561 . . . . 0.0 108.059 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -71.93 -21.3 61.63 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.326 1.876 . . . . 0.0 114.254 166.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 66.8 mt -92.32 86.47 5.72 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.265 -1.522 . . . . 0.0 112.851 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -81.85 -2.54 51.41 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.383 -2.073 . . . . 0.0 115.252 172.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -83.79 115.86 61.81 Favored Pre-proline 0 C--N 1.348 0.5 0 O-C-N 119.143 -2.223 . . . . 0.0 110.28 161.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 N--CA 1.458 -0.567 0 C-N-CA 122.611 2.208 . . . . 0.0 111.224 173.371 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.3 mttp . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 122.73 1.252 . . . . 0.0 112.818 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.22 -48.84 10.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 121.103 -0.998 . . . . 0.0 111.223 -176.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -64.02 -13.82 14.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 O-C-N 120.788 -1.195 . . . . 0.0 114.098 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -57.01 -52.09 66.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.026 -1.671 . . . . 0.0 112.45 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -70.77 -30.21 66.64 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.519 -1.363 . . . . 0.0 110.984 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.04 -46.39 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.624 0.77 . . . . 0.0 111.82 172.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -56.93 -38.23 72.59 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.438 -2.039 . . . . 0.0 113.778 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -59.89 -55.06 38.79 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 120.817 -1.177 . . . . 0.0 113.087 166.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.1 -46.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 C-N-CA 126.21 1.804 . . . . 0.0 113.535 172.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.15 -45.71 89.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 120.751 -1.218 . . . . 0.0 110.052 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -56.02 -54.3 46.5 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.824 1.249 . . . . 0.0 112.818 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.73 -26.86 18.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 O-C-N 121.213 -0.929 . . . . 0.0 112.084 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.55 61.36 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.395 -1.441 . . . . 0.0 112.529 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 t -75.38 -54.63 6.74 Favored 'General case' 0 C--N 1.362 1.15 0 CA-C-O 124.475 2.084 . . . . 0.0 105.956 -169.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.2 mt -28.95 -59.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.167 1 C-N-CA 132.81 4.444 . . . . 0.0 113.523 162.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.13 -47.89 68.31 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.519 1.152 . . . . 0.0 113.251 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.26 -49.18 56.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.776 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.94 -46.67 88.63 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.787 1.279 . . . . 0.0 111.382 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -87.52 -58.71 2.48 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 125.644 1.577 . . . . 0.0 112.528 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -107.37 2.14 24.2 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.907 -1.121 . . . . 0.0 112.772 -166.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.39 6.3 tpp180 63.62 -119.37 0.51 Allowed 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.975 1.71 . . . . 0.0 113.743 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.63 -11.17 9.47 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 121.1 1.773 . . . . 0.0 115.1 -163.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.26 -55.1 39.15 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.339 -1.476 . . . . 0.0 114.073 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -75.5 -34.38 29.55 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 O-C-N 120.691 -1.256 . . . . 0.0 113.561 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 27' ' ' VAL . 21.4 t -40.8 -45.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 128.566 2.746 . . . . 0.0 116.669 164.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -51.37 -46.73 62.86 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 123.564 1.649 . . . . 0.0 114.428 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -75.79 114.46 14.43 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 113.485 -1.689 . . . . 0.0 110.54 -163.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -77.02 -36.46 56.21 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.249 -1.532 . . . . 0.0 111.933 -160.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.96 -46.75 80.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.658 0.783 . . . . 0.0 111.755 172.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -57.13 -43.75 82.67 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.22 -51.74 68.48 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.559 -1.338 . . . . 0.0 113.46 -172.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.02 -50.75 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 1 C-N-CA 132.92 4.488 . . . . 0.0 112.394 162.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -25.27 66.09 Favored 'General case' 0 CA--C 1.543 0.711 1 O-C-N 116.099 -4.125 . . . . 0.0 116.918 175.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -31.79 72.66 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.389 1.876 . . . . 0.0 110.708 172.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.21 -46.55 67.14 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 120.591 -1.318 . . . . 0.0 110.363 174.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.49 -43.07 99.51 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.854 -1.779 . . . . 0.0 112.113 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.98 -49.55 2.49 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 169.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.1 pt -92.1 0.88 9.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 121.066 -1.022 . . . . 0.0 111.671 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.89 50.47 5.91 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 120.395 -1.44 . . . . 0.0 114.23 170.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -87.32 110.69 20.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.4 p -112.85 167.21 10.69 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.466 -1.396 . . . . 0.0 107.613 170.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -144.05 134.74 24.99 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 47.17 27.04 0.75 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 -0.5 89.33 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 120.622 -1.299 . . . . 0.0 115.086 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 118.892 1.346 . . . . 0.0 109.152 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -75.96 134.79 40.1 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 120.237 -1.54 . . . . 0.0 107.677 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.35 82.68 0.05 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -174.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.9 -172.63 3.24 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.933 2.093 . . . . 0.0 114.83 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -58.56 -70.91 0.13 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 -166.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -46.5 -46.94 19.41 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 126.237 1.815 . . . . 0.0 115.739 164.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -64.0 -31.95 73.33 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.092 -1.63 . . . . 0.0 115.023 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -66.58 -40.67 89.05 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.734 1.214 . . . . 0.0 110.371 169.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -71.34 -45.43 62.96 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.243 -1.536 . . . . 0.0 109.848 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -55.36 -43.04 74.71 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.943 2.097 . . . . 0.0 114.451 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.7 tt -65.63 -36.78 78.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 121.056 -1.027 . . . . 0.0 112.548 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.27 -49.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 128.209 2.604 . . . . 0.0 113.807 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.6 p -70.95 -34.42 71.46 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 119.568 -1.957 . . . . 0.0 113.875 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -94.76 25.39 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 123.183 2.72 . . . . 0.0 113.57 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.27 145.3 55.91 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-O 123.654 1.692 . . . . 0.0 113.788 164.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -81.11 148.91 29.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.818 1.247 . . . . 0.0 107.883 163.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.88 -37.43 87.36 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -172.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.9 -41.41 64.64 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 120.542 -1.348 . . . . 0.0 112.923 -173.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.8 -62.08 1.22 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 129.286 3.035 . . . . 0.0 114.305 167.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -66.4 -35.42 80.28 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -73.08 -26.74 61.37 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.091 -1.63 . . . . 0.0 110.143 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.0 m -58.71 -39.12 79.88 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 119.618 -1.927 . . . . 0.0 112.478 167.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.81 -53.63 51.27 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.625 -1.297 . . . . 0.0 112.807 166.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.84 -55.36 2.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 125.476 1.51 . . . . 0.0 112.556 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.83 -27.18 69.15 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.291 -1.506 . . . . 0.0 114.18 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -79.72 -66.47 0.87 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.996 -1.065 . . . . 0.0 110.77 170.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.07 94.77 4.32 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.857 1.313 . . . . 0.0 110.455 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.62 -52.89 63.77 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 127.224 2.209 . . . . 0.0 112.064 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.77 -32.97 74.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 125.152 1.381 . . . . 0.0 110.729 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.49 -59.95 7.87 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 125.459 1.504 . . . . 0.0 112.712 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -76.57 -45.69 29.39 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.59 -30.63 71.48 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.804 -1.81 . . . . 0.0 112.541 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.76 -59.26 11.13 Favored Glycine 0 CA--C 1.491 -1.411 0 C-N-CA 125.493 1.52 . . . . 0.0 114.029 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.54 -44.64 99.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 CA-C-N 118.394 1.097 . . . . 0.0 112.61 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -34.51 -67.11 0.15 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 127.774 2.43 . . . . 0.0 114.564 168.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.4 mtm-85 -59.84 -50.06 75.29 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.286 20.2 p90 -78.66 -27.74 45.3 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.8 -1.812 . . . . 0.0 113.776 -176.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.9 -50.41 73.88 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.83 -1.169 . . . . 0.0 112.706 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.99 -16.81 57.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.728 -1.232 . . . . 0.0 114.287 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 43.9 ttp -71.7 -56.3 6.07 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.929 -1.107 . . . . 0.0 111.901 169.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -82.13 -51.64 7.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 120.554 -1.341 . . . . 0.0 113.931 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.2 m -109.45 106.08 15.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.908 0.861 . . . . 0.0 111.329 -158.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -120.2 166.07 13.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.933 1.349 . . . . 0.0 113.524 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.358 0.969 0 C-N-CA 128.059 2.544 . . . . 0.0 111.349 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 121.144 0.497 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.08 -42.86 80.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 120.012 -1.68 . . . . 0.0 113.19 165.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.87 -55.05 37.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.617 -1.302 . . . . 0.0 113.473 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -80.13 -17.57 52.18 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 119.592 -1.943 . . . . 0.0 110.775 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 117.79 -22.25 10.04 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 112.746 161.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.06 144.96 38.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 22.2 p -82.35 158.72 23.27 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 113.157 -1.838 . . . . 0.0 112.421 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.2 -11.1 12.77 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.533 -1.98 . . . . 0.0 114.54 170.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -82.03 -25.56 34.54 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.385 -1.447 . . . . 0.0 110.444 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.26 -42.22 75.85 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.354 1.462 . . . . 0.0 111.203 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.65 -22.46 65.32 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.172 -0.955 . . . . 0.0 112.623 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.93 -63.21 1.11 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.641 1.21 . . . . 0.0 111.22 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.24 -27.54 42.93 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.72 -55.29 28.04 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 124.597 1.159 . . . . 0.0 111.381 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -56.18 -41.36 75.37 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.303 1.841 . . . . 0.0 112.804 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 28.2 mtt -73.94 -69.57 0.43 Allowed 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 119.323 -2.111 . . . . 0.0 114.331 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -97.59 -28.18 14.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.537 1.135 . . . . 0.0 113.897 -159.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.35 -26.92 21.97 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.343 1.428 . . . . 0.0 110.36 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 84.79 35.03 13.87 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 120.86 -1.15 . . . . 0.0 114.465 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 24.6 mt -109.77 112.21 39.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 169.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -96.28 91.65 5.98 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.873 1.321 . . . . 0.0 107.947 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -114.31 49.7 1.0 Allowed 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 120.886 -1.133 . . . . 0.0 109.683 -169.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -96.83 46.48 1.05 Allowed 'General case' 0 C--N 1.349 0.548 0 O-C-N 119.172 -2.205 . . . . 0.0 111.606 -161.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 5.7 t -173.0 173.61 3.67 Favored 'General case' 0 CA--C 1.507 -0.676 0 O-C-N 120.099 -1.626 . . . . 0.0 107.585 -152.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -70.3 137.41 50.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 115.284 -169.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -129.19 127.63 41.71 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.442 162.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 74.4 p -72.16 163.03 28.61 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.747 1.219 . . . . 0.0 110.956 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.0 -31.2 68.59 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 118.065 2.617 . . . . 0.0 118.065 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -69.85 -44.95 68.82 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.622 -1.299 . . . . 0.0 111.341 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.62 -41.96 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 127.376 2.27 . . . . 0.0 113.804 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.7 -46.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 C-N-CA 126.013 1.725 . . . . 0.0 111.403 166.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -64.14 -37.53 94.69 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 121.286 -0.884 . . . . 0.0 113.691 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.01 -39.73 72.22 Favored 'General case' 0 C--N 1.371 1.504 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -176.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -41.35 72.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 129.25 3.02 . . . . 0.0 111.827 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.31 -58.3 6.91 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.201 2.2 . . . . 0.0 111.96 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.05 -53.42 50.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 116.963 2.208 . . . . 0.0 116.963 165.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 74.8 t -50.45 -58.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.599 0 C-N-CA 125.56 1.544 . . . . 0.0 112.747 172.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 32.4 m -48.66 -43.51 36.78 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.312 -2.117 . . . . 0.0 115.245 166.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 56.8 ttp85 -64.89 -46.03 83.45 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 123.517 1.627 . . . . 0.0 109.607 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -60.37 -37.51 80.95 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.848 1.659 . . . . 0.0 111.53 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.55 -30.04 70.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.404 -2.06 . . . . 0.0 112.026 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 76.7 mt -70.71 -46.3 69.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 118.966 -2.334 . . . . 0.0 111.783 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 39.8 tpt85 -42.36 -46.48 4.65 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 119.158 3.022 . . . . 0.0 119.158 152.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -64.19 -41.92 96.87 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 119.328 -2.108 . . . . 0.0 114.082 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.08 -42.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.894 -1.754 . . . . 0.0 113.695 167.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.46 -55.6 29.83 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.272 2.229 . . . . 0.0 111.632 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.76 71.94 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.947 2.099 . . . . 0.0 113.855 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -66.23 -47.64 73.15 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.677 -1.264 . . . . 0.0 110.87 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.6 69.14 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 174.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.07 -13.28 60.47 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 120.18 -1.575 . . . . 0.0 112.853 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -87.38 -28.61 22.08 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.829 2.051 . . . . 0.0 109.187 170.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -69.22 -29.33 67.26 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 119.42 -2.05 . . . . 0.0 114.283 165.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.55 94.87 10.03 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 123.262 1.506 . . . . 0.0 110.446 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -83.89 -28.25 28.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 119.267 -2.146 . . . . 0.0 114.606 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -81.15 119.05 74.83 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 121.015 -1.053 . . . . 0.0 110.545 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo . . . . . 0 N--CA 1.46 -0.496 0 C-N-CA 122.305 2.003 . . . . 0.0 113.954 -165.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm . . . . . 0 N--CA 1.442 -0.836 0 CA-C-O 122.581 1.181 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -101.08 -30.84 11.37 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -164.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.8 mm -66.47 -24.97 34.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 123.882 0.873 . . . . 0.0 112.585 -160.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -52.82 63.81 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.454 1.501 . . . . 0.0 113.392 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 m -72.8 -34.18 66.74 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.259 -1.526 . . . . 0.0 111.981 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.86 -45.15 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.917 -0.489 . . . . 0.0 111.407 166.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -56.32 -43.96 79.49 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 119.709 -1.869 . . . . 0.0 114.856 165.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.08 -62.11 1.87 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.756 1.616 . . . . 0.0 113.082 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -43.39 -48.66 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 128.029 2.532 . . . . 0.0 114.155 172.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.33 -52.18 63.21 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 124.16 0.984 . . . . 0.0 110.492 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 m -61.1 -54.67 41.69 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.802 -1.186 . . . . 0.0 112.801 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.9 -33.33 60.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 O-C-N 120.925 -1.109 . . . . 0.0 112.343 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -28.75 67.84 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.054 -1.654 . . . . 0.0 114.27 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -69.9 -47.37 62.78 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 123.0 1.381 . . . . 0.0 108.1 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -31.79 -66.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 129.09 2.956 . . . . 0.0 115.439 157.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.08 -54.68 9.84 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.177 1.942 . . . . 0.0 112.866 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.59 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 C-N-CA 128.963 2.905 . . . . 0.0 111.49 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -83.77 -32.23 25.52 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.5 -2.0 . . . . 0.0 113.844 -166.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.41 -67.32 0.59 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.199 1.0 . . . . 0.0 112.032 174.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -104.11 -18.3 14.58 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.6 -0.687 . . . . 0.0 112.234 -162.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 76.71 -175.59 0.11 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 126.021 1.728 . . . . 0.0 115.007 164.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 55.1 mp0 -42.23 -8.11 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 C-N-CA 129.621 3.169 . . . . 0.0 117.518 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.31 -49.43 42.77 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 125.76 1.624 . . . . 0.0 111.558 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.12 -52.85 11.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 O-C-N 119.402 -2.061 . . . . 0.0 109.606 172.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 24' ' ' GLU . 72.5 t -36.63 -40.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 130.253 3.421 . . . . 0.0 116.99 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -50.47 -33.21 20.36 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.862 1.265 . . . . 0.0 113.735 175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -89.3 104.78 17.3 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 120.527 -1.358 . . . . 0.0 109.06 -164.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -51.43 -52.59 44.87 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.51 -50.59 69.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.358 1.463 . . . . 0.0 113.607 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -57.77 -41.26 81.64 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.132 2.173 . . . . 0.0 113.461 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.94 -53.14 61.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.798 -1.188 . . . . 0.0 112.603 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.27 -34.96 56.01 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 O-C-N 120.884 -1.135 . . . . 0.0 108.589 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -22.86 15.61 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -35.46 63.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.193 1.397 . . . . 0.0 110.34 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.46 -45.72 75.13 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-O 123.098 1.428 . . . . 0.0 109.709 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.21 18.77 0.14 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.374 1.47 . . . . 0.0 114.366 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -49.96 4.02 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.481 2.312 . . . . 0.0 108.033 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.7 pt -98.97 2.14 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.928 1.691 . . . . 0.0 109.828 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.37 52.52 12.81 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 124.921 1.248 . . . . 0.0 115.161 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.11 79.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.541 0 CA-C-N 118.522 1.161 . . . . 0.0 109.682 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -97.48 122.29 40.36 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.617 -1.302 . . . . 0.0 113.167 -170.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -90.59 138.01 31.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.057 -2.277 . . . . 0.0 111.305 170.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 46.92 36.68 4.17 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.554 1.942 . . . . 0.0 113.442 -173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.93 -0.44 72.27 Favored Glycine 0 C--N 1.345 1.032 0 C-N-CA 125.872 1.701 . . . . 0.0 115.427 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -115.58 154.9 28.58 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.481 -1.011 . . . . 0.0 110.4 -171.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -77.48 127.68 32.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.005 -1.685 . . . . 0.0 110.726 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 83.01 5.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.099 -1.626 . . . . 0.0 115.012 -168.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -74.7 171.99 12.92 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.46 -1.4 . . . . 0.0 111.024 167.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -40.93 -46.12 2.72 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 118.051 2.612 . . . . 0.0 118.051 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -47.81 -63.92 0.93 Allowed 'General case' 0 C--N 1.351 0.65 0 C-N-CA 125.95 1.7 . . . . 0.0 115.096 166.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -66.77 -33.22 75.15 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 125.044 1.338 . . . . 0.0 112.104 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -63.58 -51.95 63.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.737 1.615 . . . . 0.0 111.912 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.999 -1.688 . . . . 0.0 112.622 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -53.09 -49.68 65.95 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.053 1.341 . . . . 0.0 113.987 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.66 -25.32 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.82 -1.175 . . . . 0.0 113.628 -173.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.0 t -87.02 -38.03 11.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 128.195 2.598 . . . . 0.0 112.105 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -56.52 -61.45 2.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.876 1.67 . . . . 0.0 115.137 164.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -89.94 72.3 7.48 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.71 135.58 54.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -79.5 152.56 30.14 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.635 1.574 . . . . 0.0 109.993 -170.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.58 -58.6 3.51 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 -165.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.04 -50.74 61.02 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.781 -2.449 . . . . 0.0 113.349 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.318 45.9 m-20 -21.08 -68.37 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 150.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.31 -34.92 71.1 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 119.809 -1.807 . . . . 0.0 114.709 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.95 -37.89 46.56 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 124.972 1.309 . . . . 0.0 109.545 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -52.22 -51.34 58.87 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 127.387 2.275 . . . . 0.0 112.288 163.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.53 -55.99 26.87 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.749 -1.22 . . . . 0.0 113.327 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -45.72 -43.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.284 1.434 . . . . 0.0 113.229 168.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.07 -29.98 69.9 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -81.64 -74.39 0.34 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.17 1.388 . . . . 0.0 109.963 171.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -86.44 82.13 8.07 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.915 2.486 . . . . 0.0 109.309 -175.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.59 -52.51 13.22 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 119.939 -1.725 . . . . 0.0 110.396 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.86 -35.27 62.34 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.983 -1.073 . . . . 0.0 110.314 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.71 91.78 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 115.146 0.819 . . . . 0.0 115.146 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -68.17 -59.35 3.29 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.185 1.493 . . . . 0.0 111.454 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.84 -30.91 71.85 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 123.587 0.755 . . . . 0.0 111.924 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.03 -57.79 17.96 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.982 1.277 . . . . 0.0 113.586 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.92 -36.46 57.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 120.674 -1.486 . . . . 0.0 113.645 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.59 -65.75 0.52 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -71.17 -30.88 66.97 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -40.21 81.96 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.722 1.146 . . . . 0.0 111.51 172.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.24 -53.47 43.88 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.643 1.577 . . . . 0.0 112.184 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -63.19 -24.2 67.77 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -83.27 -50.68 8.15 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.347 1.459 . . . . 0.0 112.251 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -70.0 -50.45 41.5 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -175.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 p -89.36 97.97 11.5 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.701 1.137 . . . . 0.0 108.364 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -93.59 96.41 9.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.646 -1.283 . . . . 0.0 110.052 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 pttm . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.908 -1.12 . . . . 0.0 112.299 -177.158 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.9 t -53.65 -47.9 60.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 113.101 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.13 -53.12 61.89 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 126.907 2.083 . . . . 0.0 113.717 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.17 -44.08 26.88 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 121.143 -0.973 . . . . 0.0 110.9 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 134.88 -18.64 4.02 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 115.621 1.008 . . . . 0.0 115.621 165.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.71 134.78 34.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.38 1.59 . . . . 0.0 110.278 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 60.7 p -69.63 167.73 16.32 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -48.79 -35.66 14.9 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 126.022 1.729 . . . . 0.0 115.454 158.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -63.52 -48.97 75.38 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 123.466 1.603 . . . . 0.0 111.226 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 128.085 2.554 . . . . 0.0 111.224 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.9 68.57 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.364 1.465 . . . . 0.0 113.573 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.21 -46.51 41.41 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 120.67 -1.269 . . . . 0.0 110.335 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 39.6 t -54.8 -37.85 42.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 119.15 -2.218 . . . . 0.0 113.637 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.85 -53.88 46.36 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.053 1.741 . . . . 0.0 113.455 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -82.92 -3.85 57.49 Favored 'General case' 0 C--N 1.342 0.267 0 O-C-N 120.197 -1.564 . . . . 0.0 114.242 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 64.7 mtm -89.17 -68.22 0.79 Allowed 'General case' 0 C--N 1.351 0.647 0 O-C-N 119.991 -1.693 . . . . 0.0 112.44 167.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -99.98 -36.38 9.4 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.313 -1.492 . . . . 0.0 112.796 -166.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -76.56 -19.24 58.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.869 -1.144 . . . . 0.0 109.312 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.2 30.41 71.78 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 125.362 1.458 . . . . 0.0 115.728 169.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -97.75 123.65 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.06 98.31 10.79 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.312 -0.868 . . . . 0.0 109.317 -170.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptp -118.43 133.29 56.0 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 173.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.2 p30 176.2 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.471 1.487 . . . . 0.0 111.598 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -175.3 5.01 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 120.371 -1.455 . . . . 0.0 109.672 173.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.06 119.1 12.13 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 122.15 0.976 . . . . 0.0 112.194 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -110.86 131.77 54.77 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 3.0 m -71.02 150.33 45.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 124.469 1.108 . . . . 0.0 109.355 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.33 -24.94 61.22 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 119.464 -2.022 . . . . 0.0 114.928 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.09 -48.88 74.46 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.094 -1.629 . . . . 0.0 113.589 163.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.534 1.534 . . . . 0.0 113.782 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.0 t -53.6 -46.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 125.541 1.536 . . . . 0.0 112.182 168.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.28 -44.07 96.78 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.097 -1.002 . . . . 0.0 113.799 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -73.36 -25.13 60.46 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.162 0.982 . . . . 0.0 110.999 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -70.81 -23.99 62.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 119.394 -2.066 . . . . 0.0 112.7 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -74.32 -63.72 1.17 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 125.002 1.321 . . . . 0.0 112.57 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -16.76 -65.3 0.01 OUTLIER 'General case' 0 C--N 1.354 0.791 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 147.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.15 -58.99 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.42 1.488 . . . . 0.0 112.442 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 27.2 m -44.49 -47.49 10.04 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 167.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -69.65 -37.91 76.93 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.46 -2.025 . . . . 0.0 111.84 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -56.76 -49.54 74.96 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.37 1.468 . . . . 0.0 112.199 165.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -55.07 -39.58 69.4 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . 0.414 ' HA ' HD12 ' B' ' 590' ' ' ILE . 90.1 mt -59.11 -38.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 O-C-N 121.013 -1.055 . . . . 0.0 112.164 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -73.49 -17.13 61.26 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 121.69 2.041 . . . . 0.0 110.371 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -78.47 -38.13 41.81 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 124.721 1.208 . . . . 0.0 112.256 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' B' ' 587' ' ' ILE . 91.6 mt -54.57 -50.11 61.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 120.329 -1.482 . . . . 0.0 112.769 168.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.42 -55.83 19.1 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 129.624 3.17 . . . . 0.0 112.235 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -45.76 -44.49 13.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.637 1.975 . . . . 0.0 114.693 172.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -81.64 -42.4 20.05 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.139 -0.975 . . . . 0.0 112.387 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.28 76.25 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 125.305 1.442 . . . . 0.0 113.989 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.61 -0.89 16.7 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 171.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -98.35 -25.6 14.77 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 119.888 -1.758 . . . . 0.0 109.208 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -69.93 -23.45 63.21 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 170.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.29 -179.12 6.06 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.308 1.043 . . . . 0.0 110.02 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -164.44 -36.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.2 -0.937 . . . . 0.0 112.828 -164.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -73.69 157.61 87.29 Favored Pre-proline 0 C--N 1.351 0.657 0 O-C-N 120.234 -1.541 . . . . 0.0 111.424 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo . . . . . 0 C--N 1.332 -0.319 0 CA-C-N 122.473 1.919 . . . . 0.0 115.369 179.223 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp . . . . . 0 N--CA 1.43 -1.427 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -67.73 -39.12 84.32 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.056 -2.277 . . . . 0.0 113.575 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.442 HD13 ' HB3' ' A' ' 65' ' ' ASP . 9.1 tp -65.74 -35.08 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.05 -46.22 71.88 Favored 'General case' 0 N--CA 1.429 -1.499 1 C-N-CA 131.749 4.02 . . . . 0.0 110.154 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.3 m -78.87 -35.3 44.01 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 127.275 2.23 . . . . 0.0 112.656 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.92 -45.23 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 120.004 -1.685 . . . . 0.0 111.778 169.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -52.16 -37.42 54.49 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 118.872 -2.392 . . . . 0.0 116.766 167.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.95 -51.43 58.63 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.47 -44.73 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.937 2.095 . . . . 0.0 111.678 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.52 -50.49 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.724 -2.485 . . . . 0.0 114.225 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -66.82 -40.95 88.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -167.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.68 -33.58 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.17 66.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.304 -1.498 . . . . 0.0 113.826 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -55.0 -54.57 41.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 113.186 168.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.7 -39.66 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.94 -36.09 79.52 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.872 -1.767 . . . . 0.0 113.4 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 mm -68.71 -29.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 O-C-N 117.587 -3.195 . . . . 0.0 109.937 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -70.61 -53.98 13.79 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.58 -1.325 . . . . 0.0 113.079 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -82.18 -43.95 17.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -110.93 -33.28 6.56 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.383 -2.073 . . . . 0.0 113.61 -176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.26 39.5 mtm180 84.92 -144.35 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.108 2.963 . . . . 0.0 113.976 -174.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.6 -19.84 62.07 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.328 -2.732 . . . . 0.0 116.973 -167.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -54.53 -37.9 65.94 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.178 2.991 . . . . 0.0 115.898 -171.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.8 mt -76.26 -46.49 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 O-C-N 119.611 -1.931 . . . . 0.0 111.387 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -19.57 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.938 -1.727 . . . . 0.0 112.009 -172.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.94 2.496 . . . . 0.0 111.103 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -92.62 140.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.733 1.254 . . . . 0.0 110.515 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.69 -40.14 34.66 Favored 'General case' 0 N--CA 1.43 -1.428 1 O-C-N 116.275 -4.016 . . . . 0.0 111.356 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -58.26 9.37 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.09 -44.16 87.46 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -64.67 -35.08 79.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.19 -43.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.91 -2.369 . . . . 0.0 110.187 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.06 -42.14 27.76 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.676 2.39 . . . . 0.0 115.851 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.12 -50.26 74.73 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.985 1.314 . . . . 0.0 114.453 171.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.69 -39.5 91.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.517 1.627 . . . . 0.0 114.04 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -33.81 71.63 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.917 -1.114 . . . . 0.0 113.821 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -54.41 -58.48 7.28 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.71 -1.869 . . . . 0.0 115.123 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 pt -75.68 -28.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.801 -1.812 . . . . 0.0 113.106 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.91 65.72 1.09 Allowed Glycine 0 N--CA 1.43 -1.712 0 CA-C-N 120.578 1.535 . . . . 0.0 113.284 165.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.2 148.21 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 166.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -156.42 142.42 18.05 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -136.95 128.81 29.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.858 2.063 . . . . 0.0 107.61 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 52.36 32.09 10.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.047 2.539 . . . . 0.0 117.152 -170.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.44 -10.54 66.5 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 118.407 -2.683 . . . . 0.0 112.103 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -102.44 128.59 48.98 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 124.206 1.955 . . . . 0.0 112.292 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -79.08 135.14 36.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 118.459 -2.65 . . . . 0.0 113.154 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 ' H ' ' A' ' 49' ' ' LEU 0.472 0.0 OUTLIER -75.52 96.83 3.57 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 -166.544 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -77.9 177.48 8.2 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.42 -1.425 . . . . 0.0 110.851 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -33.4 -54.55 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 130.952 3.701 . . . . 0.0 115.654 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -61.43 -50.46 72.72 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.783 2.033 . . . . 0.0 114.0 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -70.97 -32.81 69.78 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.691 2.396 . . . . 0.0 110.891 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.23 -54.44 44.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.413 2.285 . . . . 0.0 110.175 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -67.33 -26.75 66.66 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.895 1.678 . . . . 0.0 113.854 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.36 -67.33 0.46 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.765 1.226 . . . . 0.0 111.095 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.2 tt -66.16 -32.21 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -167.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.91 -18.55 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.258 -1.527 . . . . 0.0 112.585 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -99.53 -45.17 5.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.71 -10.77 60.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.937 2.94 . . . . 0.0 118.937 -171.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.24 159.83 30.44 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . 0.255 20.5 p -76.38 174.84 9.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.313 -2.117 . . . . 0.0 114.141 -166.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.14 -49.67 66.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.602 3.161 . . . . 0.0 112.999 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -73.8 -39.67 63.96 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.341 2.256 . . . . 0.0 111.968 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' HB3' HD13 ' A' ' 5' ' ' ILE . 71.7 m-20 -51.0 -58.76 5.23 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.34 -36.26 78.99 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.939 -1.725 . . . . 0.0 109.526 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -59.9 -45.32 92.92 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.02 -1.675 . . . . 0.0 113.901 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.5 m -56.02 -45.45 79.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 124.726 2.203 . . . . 0.0 113.278 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.84 -43.61 83.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.327 -2.108 . . . . 0.0 111.98 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.42 -52.74 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 124.644 1.178 . . . . 0.0 112.999 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -63.52 -20.58 65.73 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -89.09 -64.76 1.1 Allowed 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.409 1.084 . . . . 0.0 112.351 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -118.58 96.92 5.49 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.991 -1.693 . . . . 0.0 107.98 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.75 -56.0 9.47 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.568 1.147 . . . . 0.0 111.769 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.23 -35.44 80.34 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.994 -1.691 . . . . 0.0 113.836 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.71 -52.95 49.28 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 125.807 1.67 . . . . 0.0 113.751 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -60.89 -60.83 3.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.826 -1.985 . . . . 0.0 113.267 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.67 -40.1 59.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -52.3 27.8 Favored Glycine 0 N--CA 1.429 -1.785 0 C-N-CA 125.586 1.565 . . . . 0.0 111.917 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.5 t -59.63 -46.67 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 125.666 1.587 . . . . 0.0 111.038 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -54.12 -50.13 67.6 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.837 1.655 . . . . 0.0 114.892 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -67.44 -41.84 84.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.48 -29.73 65.16 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.616 -1.302 . . . . 0.0 112.875 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.3 mt -54.93 -50.67 68.28 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.535 -2.603 . . . . 0.0 113.288 166.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -74.71 -28.27 60.73 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.267 -2.146 . . . . 0.0 113.366 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.8 tpp -68.27 -53.35 25.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.758 1.266 . . . . 0.0 112.313 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -108.17 -44.81 4.07 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.106 -2.246 . . . . 0.0 112.795 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.2 m -89.33 96.98 10.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.899 -1.751 . . . . 0.0 111.339 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.35 163.35 12.9 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.496 3.147 . . . . 0.0 119.496 -165.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 N--CA 1.43 -1.468 0 O-C-N 120.161 -1.587 . . . . 0.0 111.058 -178.718 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 120.611 0.243 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 79.9 t -70.21 -36.1 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 111.952 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 84.5 mt -72.23 -49.43 35.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.359 -1.463 . . . . 0.0 111.3 172.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.26 -59.63 3.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -175.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.66 -24.7 9.47 Favored Glycine 0 N--CA 1.43 -1.715 0 C-N-CA 123.836 0.731 . . . . 0.0 111.389 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.55 142.01 36.12 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 166.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.37 162.66 14.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.652 -1.28 . . . . 0.0 111.381 175.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.84 -22.3 14.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.569 -2.582 . . . . 0.0 115.746 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -76.46 -27.04 55.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -78.17 -35.88 48.18 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.61 -2.556 . . . . 0.0 106.366 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.47 74.52 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 167.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.62 -47.2 80.17 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 124.614 2.149 . . . . 0.0 113.416 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.54 -40.55 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 117.554 -3.216 . . . . 0.0 114.445 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.5 -32.91 69.25 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -81.77 -45.78 15.15 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.067 -1.646 . . . . 0.0 115.213 170.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 60.2 mtm -60.25 -52.9 63.32 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.983 -1.698 . . . . 0.0 114.078 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -104.14 -55.93 2.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.74 -40.28 95.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 127.105 2.162 . . . . 0.0 110.73 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.26 54.28 2.31 Favored Glycine 0 N--CA 1.43 -1.764 0 C-N-CA 126.071 1.796 . . . . 0.0 111.493 165.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.6 mt -119.71 134.42 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.05 104.23 14.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 123.343 0.657 . . . . 0.0 110.13 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -141.04 67.43 1.35 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.47 -1.394 . . . . 0.0 110.442 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.7 -3.51 17.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.13 -2.856 . . . . 0.0 116.243 -171.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . 0.263 4.4 m -97.41 -107.48 0.17 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 122.291 1.043 . . . . 0.0 113.528 -165.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -110.72 150.12 29.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.61 -1.931 . . . . 0.0 110.6 -173.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . 0.413 ' HB3' HG23 ' B' ' 576' ' ' VAL . 9.7 m-85 -136.27 139.69 42.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.586 -1.946 . . . . 0.0 108.514 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 33.0 p -104.11 179.08 4.37 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.495 1.918 . . . . 0.0 109.195 156.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.31 -45.11 89.34 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.703 -1.873 . . . . 0.0 110.163 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.58 -47.7 76.01 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 171.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.09 -32.52 74.26 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.792 -1.817 . . . . 0.0 114.146 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' B' ' 571' ' ' TYR . 86.9 t -62.18 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.686 2.494 . . . . 0.0 111.826 166.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.85 -35.96 91.53 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.876 -2.39 . . . . 0.0 113.929 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.93 -54.73 41.45 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.425 -2.22 . . . . 0.0 113.208 173.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.65 -28.13 69.7 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.21 -59.08 5.64 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.749 -1.844 . . . . 0.0 111.285 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.79 -30.72 71.74 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.06 -51.2 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 168.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 81.1 m -59.56 -44.04 93.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.438 1.895 . . . . 0.0 112.05 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -55.77 -46.67 77.86 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.403 1.881 . . . . 0.0 114.52 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.59 -30.72 68.55 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.092 -2.88 . . . . 0.0 114.69 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -64.52 -37.75 88.63 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.458 1.123 . . . . 0.0 111.676 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.17 -47.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 124.836 1.254 . . . . 0.0 112.403 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.84 -28.66 64.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -62.74 -40.63 97.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.224 -1.547 . . . . 0.0 112.231 165.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.38 -49.37 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 119.301 -2.124 . . . . 0.0 111.284 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -53.77 -51.42 63.47 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.802 2.441 . . . . 0.0 115.213 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -48.92 -56.04 10.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.603 1.961 . . . . 0.0 114.119 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -64.5 -42.72 95.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.998 1.319 . . . . 0.0 113.764 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.49 88.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.33 -37.06 82.69 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.05 1.74 . . . . 0.0 112.262 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -65.86 -38.82 89.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 117.621 -3.174 . . . . 0.0 114.042 169.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -68.28 -31.72 71.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.864 2.066 . . . . 0.0 116.025 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.28 95.57 5.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.437 -2.039 . . . . 0.0 111.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -74.8 -3.72 33.45 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 118.012 2.597 . . . . 0.0 118.012 -161.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.99 138.84 21.63 Favored Pre-proline 0 N--CA 1.431 -1.418 0 CA-C-O 115.99 -1.957 . . . . 0.0 106.216 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.434 -1.994 0 C-N-CA 124.177 3.251 . . . . 0.0 109.768 -158.11 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp . . . . . 0 N--CA 1.445 -0.715 0 CA-C-O 122.149 0.976 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -74.31 -41.72 60.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.752 -1.217 . . . . 0.0 111.038 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.643 HD13 HD21 ' A' ' 61' ' ' LEU . 10.7 tp -61.45 -22.39 27.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 124.789 1.235 . . . . 0.0 114.275 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.64 -50.61 72.58 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 126.499 1.92 . . . . 0.0 111.345 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 m -65.88 -43.1 89.33 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.506 -1.371 . . . . 0.0 112.095 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.39 -48.52 56.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 C-N-CA 123.377 0.671 . . . . 0.0 112.407 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -50.4 -44.29 54.97 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.457 -1.402 . . . . 0.0 114.654 169.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.75 -59.6 5.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.624 -1.297 . . . . 0.0 113.223 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.14 -47.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 126.36 1.864 . . . . 0.0 112.768 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.1 -42.11 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 O-C-N 121.358 -0.839 . . . . 0.0 111.488 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 m -53.7 -52.34 60.39 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.56 -1.337 . . . . 0.0 113.08 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.73 -31.08 40.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 O-C-N 120.364 -1.46 . . . . 0.0 112.695 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.71 64.32 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 119.871 -1.768 . . . . 0.0 112.892 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.9 m -72.98 -51.32 18.79 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.748 1.737 . . . . 0.0 107.33 -172.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 17' ' ' ILE . 16.6 mt -33.28 -56.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 128.815 2.846 . . . . 0.0 115.592 159.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -47.2 -50.23 21.24 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-O 123.226 1.489 . . . . 0.0 112.915 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.03 -53.52 33.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 128.433 2.693 . . . . 0.0 110.375 -178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -66.71 -42.36 86.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 123.933 1.825 . . . . 0.0 112.52 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.93 -58.59 2.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 113.255 -1.793 . . . . 0.0 110.821 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -100.63 1.26 40.52 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.034 -1.041 . . . . 0.0 112.474 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.289 1.1 tpp180 64.34 -123.43 0.48 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 125.116 1.366 . . . . 0.0 112.136 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.4 -2.22 31.41 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.925 2.148 . . . . 0.0 113.093 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -42.26 -68.97 0.15 Allowed 'General case' 0 C--N 1.35 0.602 0 C-N-CA 128.13 2.572 . . . . 0.0 116.457 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.5 pt -87.31 -23.34 6.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 O-C-N 120.169 -1.582 . . . . 0.0 111.824 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t -61.3 -51.36 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 128.819 2.847 . . . . 0.0 113.56 170.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -55.23 -59.25 5.05 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.496 1.519 . . . . 0.0 113.443 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 102.87 1.93 Allowed 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.854 1.662 . . . . 0.0 110.61 -169.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -55.11 -56.57 18.38 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -159.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -40.08 67.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.259 1.423 . . . . 0.0 114.102 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -56.69 -41.63 77.69 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.333 1.453 . . . . 0.0 114.094 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -62.1 -63.88 1.11 Allowed 'General case' 0 CA--C 1.555 1.163 0 O-C-N 119.479 -2.013 . . . . 0.0 114.045 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.49 ' H ' HG13 ' A' ' 34' ' ' ILE . 6.3 mt -27.52 -67.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 128.595 2.758 . . . . 0.0 114.99 144.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.2 -28.89 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 118.303 -2.748 . . . . 0.0 116.214 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.03 -39.32 75.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.717 1.607 . . . . 0.0 111.309 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.41 -46.2 80.95 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-O 122.877 1.322 . . . . 0.0 112.474 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.29 -46.25 91.1 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.428 -1.42 . . . . 0.0 113.077 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -33.17 -56.71 0.4 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.606 2.362 . . . . 0.0 115.826 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.52 -7.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 O-C-N 121.798 -0.564 . . . . 0.0 111.973 -173.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.19 66.12 1.64 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 120.311 -1.493 . . . . 0.0 115.025 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -101.42 112.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 167.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.1 p -113.18 170.06 8.49 Favored 'General case' 0 C--N 1.368 1.39 0 CA-C-O 122.811 1.291 . . . . 0.0 112.011 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -137.53 140.02 40.84 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 48.26 35.03 5.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.436 1.894 . . . . 0.0 113.469 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.22 -2.47 86.98 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.879 1.705 . . . . 0.0 115.339 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -110.81 132.21 54.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.867 1.667 . . . . 0.0 109.612 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.43 125.55 29.51 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.316 -1.49 . . . . 0.0 108.975 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -75.47 105.9 6.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 123.937 1.827 . . . . 0.0 115.836 -161.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -75.53 -177.1 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.368 -1.458 . . . . 0.0 112.954 168.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -55.64 -41.11 73.11 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.35 1.46 . . . . 0.0 114.76 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -53.23 -63.58 1.1 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.226 2.21 . . . . 0.0 111.787 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -59.24 -43.7 92.38 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.907 -1.121 . . . . 0.0 113.454 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -53.37 -52.54 58.94 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.352 1.861 . . . . 0.0 113.603 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -80.29 -28.7 38.23 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.687 -1.258 . . . . 0.0 112.48 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.66 -41.23 84.11 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.115 -1.615 . . . . 0.0 114.223 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.1 tt -67.4 -37.47 79.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 O-C-N 119.859 -1.776 . . . . 0.0 112.726 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.19 -40.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 C-N-CA 128.647 2.779 . . . . 0.0 113.475 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -93.52 -19.64 21.02 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 119.283 -2.136 . . . . 0.0 114.238 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.72 21.15 11.79 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 122.641 2.473 . . . . 0.0 111.981 162.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.643 HD21 HD13 ' A' ' 5' ' ' ILE . 1.6 tt -64.17 138.6 58.52 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.791 1.636 . . . . 0.0 113.056 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 61' ' ' LEU . 26.0 m -75.35 143.02 43.07 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.319 1.448 . . . . 0.0 112.383 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.56 -51.12 62.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.363 -2.085 . . . . 0.0 116.312 -168.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.15 -34.46 76.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 119.402 -2.062 . . . . 0.0 114.314 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 17.3 m-20 -55.38 -54.54 42.37 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.723 1.609 . . . . 0.0 114.339 171.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HB3' HD22 ' A' ' 61' ' ' LEU . 19.6 ptmt -61.72 -39.81 92.85 Favored 'General case' 0 C--N 1.369 1.438 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.827 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -71.68 -32.52 67.93 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 121.534 -0.729 . . . . 0.0 110.89 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 m -56.73 -39.27 73.65 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.436 -1.415 . . . . 0.0 112.922 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.96 -55.05 14.17 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.8 -1.813 . . . . 0.0 112.191 169.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.3 mm -45.96 -54.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 127.057 2.143 . . . . 0.0 112.321 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.24 -19.46 65.98 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.716 -1.24 . . . . 0.0 113.323 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -87.37 -64.04 1.21 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.883 -1.136 . . . . 0.0 111.118 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -98.97 84.36 3.06 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 126.639 1.975 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -67.53 -51.69 47.85 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.914 -1.117 . . . . 0.0 113.412 -174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.05 -41.63 12.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.736 1.214 . . . . 0.0 109.981 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.12 -47.47 89.65 Favored Glycine 0 C--N 1.351 1.396 0 C-N-CA 125.218 1.39 . . . . 0.0 115.02 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 -55.05 5.73 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.5 -1.588 . . . . 0.0 111.521 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -59.12 -42.67 91.14 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 125.534 1.534 . . . . 0.0 112.016 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.14 -22.81 71.05 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 124.873 1.225 . . . . 0.0 115.199 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.3 t -88.48 -52.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 121.331 2.565 . . . . 0.0 111.038 172.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.05 -24.23 61.49 Favored 'General case' 0 C--N 1.362 1.142 0 O-C-N 119.88 -1.762 . . . . 0.0 113.48 -166.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -75.4 -35.31 61.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.15 -0.969 . . . . 0.0 111.553 170.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -67.34 -37.31 83.05 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.665 -1.272 . . . . 0.0 111.266 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.3 tt -49.18 -54.02 18.45 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.86 1.264 . . . . 0.0 112.74 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -79.66 -22.1 43.93 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.0 mtp -66.0 -33.54 76.04 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.987 -1.695 . . . . 0.0 111.795 167.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -74.78 -55.62 5.65 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.125 -0.984 . . . . 0.0 113.002 170.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -100.81 95.95 6.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.316 1.417 . . . . 0.0 111.857 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -85.71 118.44 25.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.836 1.254 . . . . 0.0 111.301 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 C--N 1.348 0.528 0 O-C-N 120.028 -1.67 . . . . 0.0 112.03 177.694 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 59.3 t -52.76 -41.9 40.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 168.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.43 -47.75 84.27 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.364 -1.46 . . . . 0.0 114.848 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -82.27 -31.23 30.2 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.611 0.764 . . . . 0.0 112.031 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.98 -32.97 2.15 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 120.732 -1.23 . . . . 0.0 112.238 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.14 108.92 19.12 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.305 1.526 . . . . 0.0 113.858 -162.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 170.51 16.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 119.011 -2.305 . . . . 0.0 111.815 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -43.31 -29.16 0.39 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 128.066 2.546 . . . . 0.0 117.462 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -75.89 -52.04 11.18 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 124.373 2.035 . . . . 0.0 111.041 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.08 -47.75 84.1 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 129.654 3.181 . . . . 0.0 112.123 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.98 78.5 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 125.049 1.34 . . . . 0.0 113.562 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -66.49 -49.15 67.56 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.643 0.777 . . . . 0.0 110.136 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.48 -44.86 85.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 122.347 1.07 . . . . 0.0 112.131 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.14 -66.17 0.45 Allowed 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.553 2.341 . . . . 0.0 112.221 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -81.75 -2.1 49.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.569 -1.957 . . . . 0.0 114.524 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 87.9 mmm -86.26 -56.41 3.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.752 1.16 . . . . 0.0 112.395 163.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -94.08 -50.3 5.37 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.209 1.004 . . . . 0.0 112.56 -167.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.49 -38.59 74.37 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.913 0.885 . . . . 0.0 110.129 -175.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 92.48 15.18 54.08 Favored Glycine 0 C--N 1.348 1.2 0 N-CA-C 118.392 2.117 . . . . 0.0 118.392 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 32.8 mt -92.97 126.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 119.382 1.591 . . . . 0.0 107.438 162.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -89.88 111.89 23.07 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.299 1.04 . . . . 0.0 110.912 -170.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -133.55 65.33 1.59 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.543 1.137 . . . . 0.0 112.844 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -23.91 9.84 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.325 1.45 . . . . 0.0 108.863 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.1 t -87.63 -174.37 4.75 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 120.436 -1.415 . . . . 0.0 110.575 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.79 112.16 1.93 Allowed 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.644 1.578 . . . . 0.0 112.911 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.38 121.68 44.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 38.4 p -72.71 158.63 35.24 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 120.615 -1.303 . . . . 0.0 110.229 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.59 -19.6 65.81 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.178 -2.201 . . . . 0.0 112.98 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -55.2 -47.77 74.81 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.221 1.809 . . . . 0.0 114.988 157.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.3 -26.45 55.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.726 2.41 . . . . 0.0 113.703 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.03 -43.07 96.1 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-O 122.883 1.325 . . . . 0.0 110.774 164.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.04 -50.54 66.37 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 120.482 -1.386 . . . . 0.0 112.648 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -66.24 -24.79 66.65 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.547 -0.973 . . . . 0.0 112.471 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.99 -20.31 56.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.509 -1.995 . . . . 0.0 113.249 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -20.74 59.83 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.197 -2.19 . . . . 0.0 114.051 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -70.06 -67.54 0.48 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.564 2.745 . . . . 0.0 116.545 148.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.27 84.4 t -64.05 -53.3 45.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -163.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 24.9 m -42.26 -47.73 4.82 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -58.15 -45.32 87.59 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 118.799 -2.438 . . . . 0.0 113.845 173.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -50.67 -56.48 11.72 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.602 0.715 . . . . 0.0 111.881 168.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -54.18 -45.78 72.2 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.795 -1.191 . . . . 0.0 113.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.68 -38.69 73.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.721 1.608 . . . . 0.0 110.364 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.4 -12.72 60.91 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 119.378 -2.076 . . . . 0.0 112.237 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -89.64 -26.97 20.46 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.976 1.71 . . . . 0.0 112.915 169.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.56 -50.88 78.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 120.538 -1.351 . . . . 0.0 112.014 162.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.16 -52.99 56.98 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 129.273 3.029 . . . . 0.0 111.506 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -35.75 -50.75 0.65 Allowed 'General case' 0 C--N 1.349 0.578 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 166.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -74.44 -53.83 8.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.925 -1.109 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.44 73.35 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 126.801 2.041 . . . . 0.0 113.634 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 48.4 mt -61.12 -43.72 98.44 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -74.92 -26.11 59.4 Favored 'General case' 0 C--N 1.366 1.307 0 O-C-N 119.532 -1.98 . . . . 0.0 111.224 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -60.54 -23.52 64.67 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.516 1.526 . . . . 0.0 113.893 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.8 mt -81.9 91.11 6.5 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.607 -1.308 . . . . 0.0 111.285 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -83.1 -12.87 56.67 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.986 -1.696 . . . . 0.0 114.002 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.09 110.93 12.48 Favored Pre-proline 0 C--N 1.352 0.699 0 O-C-N 120.017 -1.677 . . . . 0.0 107.664 160.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo . . . . . 0 N--CA 1.458 -0.587 0 C-N-CA 122.606 2.204 . . . . 0.0 112.856 -156.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.9 tptm . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.294 0.568 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -49.29 -25.64 2.51 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.34 -24.07 34.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.858 1.263 . . . . 0.0 111.88 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.28 -51.74 68.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.408 -1.433 . . . . 0.0 112.325 168.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -55.79 -47.17 77.56 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.441 -1.412 . . . . 0.0 111.728 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -54.04 -52.53 35.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 125.342 1.457 . . . . 0.0 111.848 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HG3' HD11 ' A' ' 69' ' ' LEU . 12.8 mtp180 -53.62 -47.51 70.2 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.41 1.884 . . . . 0.0 114.371 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.26 -57.42 12.3 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.103 1.361 . . . . 0.0 113.695 170.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -49.91 -49.34 21.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 126.467 1.907 . . . . 0.0 114.405 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.266 10.8 pt -64.0 -38.53 82.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -67.04 -54.66 19.46 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.083 0.953 . . . . 0.0 112.309 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.1 -27.43 29.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 O-C-N 120.208 -1.557 . . . . 0.0 112.501 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.7 -19.8 60.11 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.792 -1.192 . . . . 0.0 113.525 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -72.9 -47.39 46.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 124.276 1.989 . . . . 0.0 106.965 -168.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.9 mt -31.62 -59.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 130.934 3.694 . . . . 0.0 114.952 158.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.4 mt -50.34 -50.01 52.3 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.245 1.022 . . . . 0.0 112.623 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.1 -56.24 18.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 111.972 -2.376 . . . . 0.0 111.15 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.83 -34.67 71.92 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 118.283 -2.761 . . . . 0.0 112.1 -167.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.12 -59.97 2.24 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 125.458 1.503 . . . . 0.0 112.994 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.8 p -105.3 -8.1 18.48 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.524 -1.36 . . . . 0.0 114.104 -172.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.449 15.4 mtp85 71.55 -124.91 0.07 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.032 1.333 . . . . 0.0 113.3 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -109.5 1.18 19.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 119.779 -1.826 . . . . 0.0 114.148 -163.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.12 -44.86 52.26 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.3 mt -77.66 -48.53 23.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 O-C-N 120.505 -1.372 . . . . 0.0 109.836 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -39.91 -46.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.568 0 C-N-CA 129.42 3.088 . . . . 0.0 115.513 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -47.3 -34.77 7.1 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 175.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -93.57 115.07 27.55 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -167.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.06 68.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 O-C-N 121.054 -1.028 . . . . 0.0 113.749 -167.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.68 -50.68 11.01 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 120.451 -1.406 . . . . 0.0 112.315 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -35.01 78.49 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.475 1.51 . . . . 0.0 112.31 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.11 -58.0 10.41 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 mt -70.06 -37.68 72.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 119.986 -1.696 . . . . 0.0 110.295 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.97 -21.54 12.16 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 127.189 2.196 . . . . 0.0 116.637 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -26.16 56.92 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.512 -0.742 . . . . 0.0 110.676 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.26 -44.49 25.38 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.525 -1.36 . . . . 0.0 109.871 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -72.2 7.23 1.79 Allowed 'General case' 0 C--N 1.347 0.496 0 O-C-N 119.516 -1.99 . . . . 0.0 113.984 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.0 -50.9 6.34 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 123.023 1.392 . . . . 0.0 110.01 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -96.52 -4.58 10.04 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.352 1.061 . . . . 0.0 110.731 -175.626 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.68 53.11 1.86 Allowed Glycine 0 C--N 1.35 1.351 0 N-CA-C 117.427 1.731 . . . . 0.0 117.427 169.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.86 110.71 22.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 CA-C-N 119.67 1.735 . . . . 0.0 108.559 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -124.26 -179.81 4.6 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.321 -1.487 . . . . 0.0 108.693 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -163.48 130.99 3.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.925 -1.11 . . . . 0.0 108.74 164.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.453 44.2 mt-10 74.94 7.85 4.21 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 122.065 2.211 . . . . 0.0 113.595 175.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.19 -11.62 37.04 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 126.185 1.85 . . . . 0.0 114.121 170.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -96.0 142.89 27.67 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.913 -1.345 . . . . 0.0 111.558 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -72.0 125.5 27.39 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 161.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.52 82.58 0.1 Allowed 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -86.71 -163.86 0.97 Allowed 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.387 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.44 -30.3 67.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.226 -1.546 . . . . 0.0 113.129 -167.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -51.99 -61.45 2.25 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.237 1.415 . . . . 0.0 113.403 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -45.64 89.86 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -56.91 11.54 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -77.76 -33.71 52.67 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.983 -1.073 . . . . 0.0 111.113 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -51.87 -52.58 48.6 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.9 pt -67.12 -37.36 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.649 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -172.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.28 -34.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 C-N-CA 128.885 2.874 . . . . 0.0 112.942 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -76.84 -43.03 37.85 Favored 'General case' 0 C--N 1.344 0.332 0 O-C-N 119.171 -2.206 . . . . 0.0 113.919 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -90.14 15.9 9.43 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 123.989 3.086 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -69.31 144.52 53.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.111 1.365 . . . . 0.0 111.469 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.43 167.93 18.87 Favored 'General case' 0 C--O 1.222 -0.369 0 O-C-N 120.582 -1.324 . . . . 0.0 109.569 -173.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -50.25 72.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 119.75 -1.844 . . . . 0.0 114.202 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.14 -45.59 73.19 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.573 -1.329 . . . . 0.0 114.332 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -33.23 -64.69 0.19 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 128.757 2.823 . . . . 0.0 116.011 166.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.265 4.9 ptmm? -67.53 -44.56 78.03 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.018 -1.051 . . . . 0.0 113.589 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -63.63 -39.2 93.75 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 122.786 0.435 . . . . 0.0 110.668 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -49.92 -49.16 50.89 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.811 1.245 . . . . 0.0 114.235 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD11 ' HG3' ' A' ' 9' ' ' ARG . 26.3 mt -74.22 -39.72 62.91 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.73 -1.856 . . . . 0.0 112.467 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -48.66 -46.85 15.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 126.134 1.774 . . . . 0.0 112.225 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.21 -50.99 42.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.978 1.311 . . . . 0.0 114.306 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -74.65 -49.93 19.57 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -129.26 78.89 1.88 Allowed 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.67 1.188 . . . . 0.0 109.3 -170.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -33.78 71.25 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.368 -1.458 . . . . 0.0 112.312 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.35 -30.48 62.03 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.367 -1.458 . . . . 0.0 110.827 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -62.0 3.65 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.791 0.71 . . . . 0.0 112.404 173.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -74.82 -62.72 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 120.76 -1.435 . . . . 0.0 113.36 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.02 -39.79 83.05 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.571 -1.331 . . . . 0.0 111.149 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.27 -48.06 54.52 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.102 1.334 . . . . 0.0 114.305 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.2 t -81.44 -53.52 12.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.248 -1.736 . . . . 0.0 114.371 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.283 0.1 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.367 1.33 0 O-C-N 118.597 -2.565 . . . . 0.0 115.765 -161.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -77.92 -31.4 51.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 119.998 -1.689 . . . . 0.0 111.03 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -68.53 -35.95 78.16 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 111.979 167.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.0 -53.82 47.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.057 1.743 . . . . 0.0 113.27 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.85 -26.47 59.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.89 -1.131 . . . . 0.0 113.412 176.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 66.1 ttp -67.2 -53.32 31.37 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.15 -1.594 . . . . 0.0 112.494 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -75.24 -54.95 6.23 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.139 -0.976 . . . . 0.0 111.286 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -80.11 91.42 5.52 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 124.0 1.857 . . . . 0.0 108.72 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -106.84 154.02 21.63 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 119.883 -1.761 . . . . 0.0 106.802 -168.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-N 121.917 2.144 . . . . 0.0 111.695 172.084 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.01 -43.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 127.881 2.473 . . . . 0.0 112.281 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.89 -51.56 68.6 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.0 -36.5 48.77 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.537 -1.352 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 133.44 -25.35 3.63 Favored Glycine 0 CA--C 1.492 -1.38 0 O-C-N 121.656 -0.653 . . . . 0.0 112.782 164.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.49 128.35 35.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 123.377 1.56 . . . . 0.0 113.722 -173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.6 t -77.26 166.76 22.77 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-O 122.525 1.155 . . . . 0.0 111.469 -175.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.71 -33.54 66.57 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.318 -1.489 . . . . 0.0 113.387 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -66.67 -35.62 80.59 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.833 2.053 . . . . 0.0 112.01 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.1 -42.52 66.01 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.52 1.528 . . . . 0.0 109.809 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.29 73.96 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.982 -1.074 . . . . 0.0 112.895 173.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -52.68 -60.67 2.96 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.389 1.476 . . . . 0.0 113.9 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.26 -25.26 36.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 120.112 -1.617 . . . . 0.0 114.474 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.2 -45.12 81.86 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 124.168 0.987 . . . . 0.0 110.564 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.5 -31.56 68.7 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 167.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 98.2 mmm -68.88 -64.47 0.86 Allowed 'General case' 0 C--N 1.353 0.725 0 O-C-N 117.686 -3.134 . . . . 0.0 114.03 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -95.58 -33.51 12.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -165.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -90.62 -24.14 20.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.894 -1.129 . . . . 0.0 112.727 -167.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 96.06 12.22 52.82 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 121.438 -0.789 . . . . 0.0 114.836 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.4 114.57 47.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 118.822 1.311 . . . . 0.0 108.27 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -84.6 102.5 12.96 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.812 -1.18 . . . . 0.0 110.488 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 40.5 mtt -97.92 61.51 1.54 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 119.232 -2.168 . . . . 0.0 109.406 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -122.49 -45.48 2.19 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 121.122 -0.987 . . . . 0.0 110.735 -173.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 18.5 p -77.25 165.97 23.8 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.986 1.314 . . . . 0.0 110.169 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -45.96 135.59 7.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 129.089 2.956 . . . . 0.0 116.868 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -133.45 160.04 38.57 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 122.521 1.153 . . . . 0.0 110.561 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -134.65 153.51 51.95 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 107.685 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.58 -38.12 52.95 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -170.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -73.18 -37.58 66.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.343 -1.473 . . . . 0.0 111.502 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -68.41 -41.79 79.93 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 127.464 2.305 . . . . 0.0 113.392 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.79 -50.18 24.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 C-N-CA 125.339 1.456 . . . . 0.0 112.264 164.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.92 -41.01 97.62 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 123.921 0.772 . . . . 0.0 113.414 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -73.3 -33.23 65.07 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 122.73 1.252 . . . . 0.0 109.524 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -76.89 -12.0 59.9 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.592 -1.317 . . . . 0.0 113.139 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -74.98 -60.08 2.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.954 1.702 . . . . 0.0 109.519 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -31.37 -68.91 0.08 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 128.172 2.589 . . . . 0.0 115.86 153.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 71.8 t -48.99 -60.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 125.418 1.487 . . . . 0.0 113.706 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -17.61 64.97 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -66.66 -39.07 88.03 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 119.927 -1.733 . . . . 0.0 109.161 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -61.09 -48.23 82.67 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.942 167.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.87 -38.97 73.49 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 120.899 1.681 . . . . 0.0 111.979 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.49 -43.07 86.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.31 -1.494 . . . . 0.0 112.438 171.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -71.94 -17.56 62.07 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 123.636 2.925 . . . . 0.0 110.676 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -76.53 -32.01 57.99 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.707 -1.246 . . . . 0.0 112.584 169.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.04 -49.92 81.56 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.882 1.673 . . . . 0.0 111.948 162.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -51.93 -55.45 20.18 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.43 -51.12 15.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.588 1.955 . . . . 0.0 114.838 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.73 -24.09 56.13 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.011 -1.68 . . . . 0.0 112.168 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -80.32 -36.09 34.74 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.11 0.964 . . . . 0.0 110.802 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.11 -1.05 18.52 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 170.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.13 -43.13 6.43 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.567 . . . . 0.0 109.679 171.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -66.03 -35.98 82.02 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.62 -1.3 . . . . 0.0 112.776 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.59 150.31 41.51 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.038 1.399 . . . . 0.0 108.135 165.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.35 -26.09 0.1 Allowed 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 121.103 -0.998 . . . . 0.0 111.598 -148.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -88.0 119.63 70.49 Favored Pre-proline 0 C--N 1.352 0.69 0 O-C-N 120.215 -1.553 . . . . 0.0 107.979 156.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo . . . . . 0 N--CA 1.461 -0.383 0 CA-C-N 122.786 2.031 . . . . 0.0 116.022 -171.288 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 mttp . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 122.066 0.936 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -93.22 -21.78 19.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.871 -1.143 . . . . 0.0 110.137 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 tp -65.18 -21.57 29.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.85 -48.41 76.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 120.067 -1.646 . . . . 0.0 113.421 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 m -68.91 -41.81 77.68 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.838 -1.163 . . . . 0.0 110.74 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.265 10.7 t -57.11 -43.88 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 120.67 -1.268 . . . . 0.0 113.254 173.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -51.79 -46.7 64.29 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 118.963 -2.335 . . . . 0.0 115.11 166.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.67 -56.16 23.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.722 1.609 . . . . 0.0 112.487 170.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.57 -51.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 127.926 2.49 . . . . 0.0 114.269 168.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.22 -46.41 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 C-N-CA 124.252 1.021 . . . . 0.0 110.775 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 m -59.16 -46.7 87.69 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.355 -0.84 . . . . 0.0 113.068 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -78.51 -27.66 14.26 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 O-C-N 120.252 -1.53 . . . . 0.0 114.041 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -20.68 60.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.0 -2.313 . . . . 0.0 111.743 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -72.26 -52.74 14.96 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 123.785 1.755 . . . . 0.0 108.22 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -26.74 -60.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 130.947 3.699 . . . . 0.0 115.371 159.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.42 -36.54 69.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.54 1.136 . . . . 0.0 113.442 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -74.81 -55.63 11.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 125.504 1.522 . . . . 0.0 110.136 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -63.58 -34.62 78.21 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.397 -2.065 . . . . 0.0 112.075 -166.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -79.74 -58.32 3.24 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 126.258 1.823 . . . . 0.0 112.08 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -116.32 -1.54 12.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 120.426 -1.421 . . . . 0.0 113.318 -164.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 52.85 -106.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.157 1.783 . . . . 0.0 113.317 -171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.69 4.99 38.74 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.393 -1.442 . . . . 0.0 112.909 -171.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.99 -44.59 72.55 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 118.375 -2.703 . . . . 0.0 115.998 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -30.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 120.103 -1.623 . . . . 0.0 110.799 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -43.89 -53.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 164.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.71 -27.38 58.96 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -162.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -101.26 123.37 45.27 Favored 'General case' 0 N--CA 1.439 -0.986 0 O-C-N 119.195 -2.191 . . . . 0.0 105.364 -171.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -60.12 -23.94 64.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.8 -53.59 12.85 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.707 -1.246 . . . . 0.0 110.429 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.91 -38.62 73.08 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.958 1.703 . . . . 0.0 115.088 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.5 -70.28 0.21 Allowed 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.213 -1.554 . . . . 0.0 113.415 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' H ' ' A' ' 34' ' ' ILE . 34.3 mt -26.36 -54.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.191 2.596 . . . . 0.0 114.445 148.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -58.67 -30.94 67.74 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 117.167 -3.458 . . . . 0.0 117.145 173.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.31 -35.96 68.76 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.889 1.276 . . . . 0.0 111.368 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.9 -37.19 75.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.917 -1.114 . . . . 0.0 111.39 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -77.14 -29.74 54.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 119.662 -1.899 . . . . 0.0 112.523 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.46 -58.73 1.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.194 2.197 . . . . 0.0 114.978 165.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.97 -7.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 120.445 -1.409 . . . . 0.0 112.487 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.2 62.47 2.19 Favored Glycine 0 CA--C 1.49 -1.474 0 O-C-N 120.768 -1.208 . . . . 0.0 114.989 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -100.66 127.64 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 166.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.0 p -124.6 172.31 9.34 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.722 -1.236 . . . . 0.0 111.078 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -142.47 146.49 34.83 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 45.89 32.95 1.43 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 123.588 1.661 . . . . 0.0 114.565 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.56 -1.47 85.69 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 126.276 1.893 . . . . 0.0 115.706 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.1 151.41 34.36 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 120.95 -1.324 . . . . 0.0 110.627 -166.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -78.36 135.08 37.39 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.887 -1.133 . . . . 0.0 108.653 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.82 82.54 8.08 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.146 -1.596 . . . . 0.0 114.665 -167.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.58 179.98 1.22 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.294 159.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -51.31 -42.79 61.43 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 125.295 1.438 . . . . 0.0 113.985 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.527 2.731 . . . . 0.0 112.657 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -66.84 -36.97 83.56 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.496 1.118 . . . . 0.0 112.247 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.74 -54.12 50.63 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.116 1.366 . . . . 0.0 113.195 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -70.09 -32.01 69.87 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.126 -1.609 . . . . 0.0 111.591 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -78.19 -38.99 42.09 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tt -63.79 -42.57 96.35 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 120.616 -1.303 . . . . 0.0 112.097 175.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.55 -56.09 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 125.672 1.589 . . . . 0.0 113.857 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -76.49 -25.36 54.19 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 118.48 -2.638 . . . . 0.0 110.609 -164.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -94.88 20.66 8.51 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.657 1.183 . . . . 0.0 113.544 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.87 160.82 25.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.059 -1.651 . . . . 0.0 114.121 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -77.8 129.22 35.18 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.705 -1.247 . . . . 0.0 109.256 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -34.82 -48.07 0.37 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.88 -31.9 71.17 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -94.78 -20.19 19.7 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 120.064 1.302 . . . . 0.0 113.546 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -48.8 -42.95 37.64 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.881 -1.762 . . . . 0.0 113.604 150.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -78.35 -28.13 47.14 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.695 -0.628 . . . . 0.0 111.939 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.8 m -54.19 -42.21 69.44 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.806 -1.809 . . . . 0.0 113.357 167.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.05 -55.63 13.54 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 119.866 -1.771 . . . . 0.0 113.298 169.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.8 mt -42.53 -56.87 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 125.359 1.464 . . . . 0.0 113.569 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.55 -37.28 83.2 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.362 1.465 . . . . 0.0 113.891 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -83.32 -67.33 0.8 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.33 0.652 . . . . 0.0 110.414 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -87.62 77.94 8.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.2 1.4 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -61.25 -44.2 97.63 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.427 -1.421 . . . . 0.0 113.71 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -78.74 -41.94 29.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.192 0.996 . . . . 0.0 109.969 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.79 -45.78 95.01 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 125.7 1.619 . . . . 0.0 114.131 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -75.45 -51.94 11.86 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.253 -1.733 . . . . 0.0 111.791 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -54.1 -40.3 67.16 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.496 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.2 -64.91 3.02 Favored Glycine 0 C--N 1.35 1.313 0 C-N-CA 124.927 1.251 . . . . 0.0 114.564 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.404 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 73.9 t -70.13 -47.62 66.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 120.42 2.11 . . . . 0.0 114.585 -174.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -36.87 -57.97 0.78 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 126.818 2.047 . . . . 0.0 115.234 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -57.46 -41.63 80.97 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 80' ' ' VAL 0.295 34.6 p90 -85.28 -32.89 22.3 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.35 -1.469 . . . . 0.0 113.453 -175.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 mt -72.34 -30.11 64.44 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.085 -1.634 . . . . 0.0 112.759 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.61 -32.5 60.31 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.188 -1.57 . . . . 0.0 111.168 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.0 ttp -66.13 -65.33 0.69 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.152 1.381 . . . . 0.0 114.057 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.74 -4.32 50.62 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -168.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.3 m -84.1 120.83 26.63 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 119.08 -2.262 . . . . 0.0 111.35 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.55 136.81 54.3 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 126.611 1.964 . . . . 0.0 112.884 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt . . . . . 0 N--CA 1.447 -0.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.046 -172.08 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.532 0.682 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 67.5 t -51.3 -50.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.411 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.69 -49.31 68.31 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.81 50.56 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.663 -1.273 . . . . 0.0 111.835 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.68 -19.68 2.95 Favored Glycine 0 C--N 1.348 1.245 0 O-C-N 121.252 -0.905 . . . . 0.0 114.261 162.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.31 115.67 23.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 124.544 2.116 . . . . 0.0 115.063 -170.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -64.13 146.92 53.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.469 171.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.48 -34.48 0.35 Allowed 'General case' 0 C--N 1.349 0.586 0 N-CA-C 116.458 2.022 . . . . 0.0 116.458 171.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -76.44 -23.83 53.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.901 1.334 . . . . 0.0 112.672 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.62 -38.27 26.28 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.168 2.187 . . . . 0.0 109.531 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.37 71.89 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.828 -1.17 . . . . 0.0 112.146 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -48.58 -60.74 2.46 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.63 -38.38 42.48 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 C-N-CA 127.816 2.446 . . . . 0.0 114.62 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.26 -45.04 96.16 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.605 1.162 . . . . 0.0 110.948 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -52.37 64.6 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 161.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.46 -63.35 1.33 Allowed 'General case' 0 C--N 1.347 0.482 0 CA-C-N 122.305 2.32 . . . . 0.0 116.264 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -98.47 -38.11 9.32 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.275 1.43 . . . . 0.0 113.555 -167.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -82.89 -23.03 33.77 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.785 -1.197 . . . . 0.0 110.528 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 71.67 34.54 62.84 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 125.053 1.311 . . . . 0.0 115.56 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 35.8 mt -99.24 129.17 50.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 120.624 -1.515 . . . . 0.0 109.947 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.17 108.72 14.0 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.812 -1.18 . . . . 0.0 112.415 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 12.9 ptp -132.3 41.1 3.25 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.669 1.223 . . . . 0.0 108.615 165.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.39 37.6 3.5 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.142 1.377 . . . . 0.0 110.791 -168.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 t -137.78 -164.8 1.67 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.818 2.047 . . . . 0.0 107.893 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -64.74 111.05 2.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.007 1.723 . . . . 0.0 113.581 155.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.62 116.81 31.98 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 76.6 m -81.8 148.83 28.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.066 -1.646 . . . . 0.0 107.964 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . 0.532 ' H ' HD23 ' B' ' 573' ' ' LEU . 1.0 OUTLIER -55.68 -20.82 15.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.122 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -66.38 -36.08 81.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.651 1.18 . . . . 0.0 113.41 168.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.1 -41.09 74.49 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.624 1.57 . . . . 0.0 112.609 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.02 -42.74 83.51 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.602 1.191 . . . . 0.0 111.35 170.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.49 -54.12 38.48 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 124.504 1.049 . . . . 0.0 113.586 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' B' ' 578' ' ' LYS . 0.7 OUTLIER -66.09 -30.26 70.73 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 122.868 1.318 . . . . 0.0 111.003 -172.034 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.32 0.81 47.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.526 1.13 . . . . 0.0 113.041 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -59.08 2.91 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 119.168 -2.207 . . . . 0.0 109.969 160.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -40.91 -59.7 1.37 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 158.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.256 91.7 t -65.18 -57.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 O-C-N 120.025 -1.672 . . . . 0.0 113.171 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 17.9 m -54.63 -35.98 64.03 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -66.46 -39.36 88.79 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 119.047 -2.283 . . . . 0.0 111.697 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.73 -51.03 71.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 120.679 -1.263 . . . . 0.0 113.076 167.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -53.64 -40.09 65.53 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.44 -1.412 . . . . 0.0 112.807 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 O-C-N 120.3 -1.5 . . . . 0.0 112.439 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -74.8 -13.77 60.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 124.638 3.381 . . . . 0.0 111.356 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -70.1 -48.88 55.82 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.731 -1.856 . . . . 0.0 112.145 165.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 54.1 mt -47.97 -50.75 9.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.786 1.634 . . . . 0.0 113.89 163.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -53.4 -60.71 2.95 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.513 1.925 . . . . 0.0 113.488 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.07 -47.87 3.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.825 2.05 . . . . 0.0 115.828 167.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -67.66 -46.7 71.63 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 112.081 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . 0.445 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -58.63 -35.97 73.33 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.13 1.372 . . . . 0.0 114.121 175.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.33 -19.88 65.52 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.566 -1.334 . . . . 0.0 113.553 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.0 -29.78 19.24 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 120.171 -1.58 . . . . 0.0 108.176 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.71 -21.0 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 165.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.04 101.66 13.13 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 119.654 -1.904 . . . . 0.0 112.813 168.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -50.27 13.13 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 120.284 3.438 . . . . 0.0 120.284 156.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -81.83 145.76 54.58 Favored Pre-proline 0 C--N 1.344 0.346 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.725 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 N--CA 1.459 -0.532 0 C-N-CA 122.459 2.106 . . . . 0.0 112.947 -170.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.43 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.673 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.472 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 21.4 m120 -97.88 -34.01 11.01 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.903 0.881 . . . . 0.0 110.592 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.83 -33.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 -168.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.14 -42.99 91.99 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.382 -1.449 . . . . 0.0 112.839 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -77.78 -39.29 44.54 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.053 -1.029 . . . . 0.0 111.175 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.6 -57.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 O-C-N 121.175 -0.953 . . . . 0.0 112.763 166.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -50.23 -46.71 54.92 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.504 -1.372 . . . . 0.0 114.02 171.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -49.43 -62.22 1.66 Allowed 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.654 1.581 . . . . 0.0 113.501 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -43.1 -53.7 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.153 2.581 . . . . 0.0 115.655 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -55.04 -53.02 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.768 1.227 . . . . 0.0 111.631 172.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -65.67 -42.98 90.69 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.411 -1.43 . . . . 0.0 113.207 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.54 -28.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 O-C-N 119.586 -1.946 . . . . 0.0 113.985 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -16.72 62.98 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 119.039 -2.288 . . . . 0.0 112.825 165.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -71.7 -41.95 67.97 Favored 'General case' 0 C--N 1.366 1.29 0 O-C-N 120.662 -1.274 . . . . 0.0 108.764 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -37.11 -61.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.431 0 C-N-CA 129.323 3.049 . . . . 0.0 113.912 163.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -51.21 -49.6 60.72 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 126.723 2.009 . . . . 0.0 112.111 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -59.42 -48.89 85.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 128.649 2.78 . . . . 0.0 113.491 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -78.59 -45.57 21.38 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 118.674 -2.516 . . . . 0.0 111.096 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -73.54 -54.56 7.93 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.368 1.467 . . . . 0.0 113.795 -173.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -105.85 -9.85 16.97 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.357 -0.839 . . . . 0.0 112.763 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.406 42.2 mtt180 62.46 -130.71 0.57 Allowed 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.967 0.907 . . . . 0.0 113.241 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -97.53 5.57 49.39 Favored 'General case' 0 CA--C 1.515 -0.387 0 O-C-N 119.787 -1.821 . . . . 0.0 111.601 -163.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.13 -68.39 0.3 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 129.696 3.199 . . . . 0.0 113.007 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.2 pt -84.62 -28.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 119.681 -1.887 . . . . 0.0 110.728 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.5 t -46.77 -38.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 127.651 2.38 . . . . 0.0 115.442 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -51.68 -48.78 63.33 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.142 1.448 . . . . 0.0 112.2 172.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -79.96 100.3 8.03 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.24 -145.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -59.68 -25.49 64.8 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -167.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.01 -55.51 4.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.981 -1.075 . . . . 0.0 110.989 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 -44.46 97.03 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.732 2.013 . . . . 0.0 111.93 -173.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.83 -44.17 81.78 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.404 -1.435 . . . . 0.0 114.665 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -83.58 -27.16 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 119.141 -2.224 . . . . 0.0 110.007 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.99 -29.82 70.95 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.106 -2.246 . . . . 0.0 112.941 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -42.31 99.67 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 125.638 1.575 . . . . 0.0 112.094 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.61 -38.9 89.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.019 1.728 . . . . 0.0 112.531 173.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -79.31 -33.33 43.34 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.432 -1.417 . . . . 0.0 113.6 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -57.4 2.02 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.549 2.339 . . . . 0.0 116.07 164.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.7 pt -84.2 -15.74 11.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 O-C-N 121.382 -0.824 . . . . 0.0 110.731 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.92 56.1 1.78 Allowed Glycine 0 CA--C 1.494 -1.226 0 O-C-N 121.191 -0.943 . . . . 0.0 112.61 165.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -84.9 130.25 36.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 CA-C-O 123.461 1.601 . . . . 0.0 108.509 170.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -127.72 150.86 49.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 129.748 3.219 . . . . 0.0 109.73 -163.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.472 ' CE1' ' HA ' ' A' ' 4' ' ' ASN . 55.8 t60 -147.4 137.77 23.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 119.78 -1.825 . . . . 0.0 108.769 163.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 54.84 35.03 23.32 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 120.298 -1.501 . . . . 0.0 113.529 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.61 -7.45 54.01 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.595 1.569 . . . . 0.0 113.614 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -96.83 157.38 15.93 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.892 1.277 . . . . 0.0 110.837 -174.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -94.66 129.47 41.53 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.262 0.5 OUTLIER -94.6 99.54 11.66 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 123.31 1.529 . . . . 0.0 114.258 -170.555 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.03 -173.22 3.46 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.245 -1.534 . . . . 0.0 111.193 166.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -45.18 -52.64 9.12 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 118.284 2.698 . . . . 0.0 118.284 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.23 -55.04 39.9 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.207 1.803 . . . . 0.0 113.719 174.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.585 -1.322 . . . . 0.0 113.136 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.582 1.553 . . . . 0.0 111.42 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.49 -37.71 68.36 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.76 -1.212 . . . . 0.0 111.007 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.86 -40.98 88.06 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 126.134 1.773 . . . . 0.0 114.222 -174.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 tt -70.69 -24.75 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 119.419 -2.051 . . . . 0.0 113.193 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.42 -40.55 13.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 127.311 2.244 . . . . 0.0 112.248 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.0 p -58.14 -45.51 87.26 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 165.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -90.53 77.12 6.51 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 121.113 1.778 . . . . 0.0 110.504 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mt -113.54 131.17 56.18 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.892 1.277 . . . . 0.0 112.621 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.2 m -64.9 127.93 33.65 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.34 1.456 . . . . 0.0 111.239 174.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.25 -54.48 13.46 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -174.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.73 -34.06 75.14 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -89.38 -30.68 18.2 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.55 -1.344 . . . . 0.0 111.351 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -40.63 82.4 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 118.883 -2.386 . . . . 0.0 113.257 165.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -68.84 -42.95 76.44 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.102 0.961 . . . . 0.0 111.677 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.8 m -43.71 -49.58 7.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.813 2.045 . . . . 0.0 114.632 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.13 -45.62 84.31 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 120.731 -1.231 . . . . 0.0 112.495 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.04 -59.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 169.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.17 -23.41 66.58 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -68.1 -80.37 0.04 OUTLIER 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.028 1.74 . . . . 0.0 111.803 170.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -124.83 104.81 8.82 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.018 -1.051 . . . . 0.0 108.512 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.99 -47.43 85.21 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -168.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.2 -44.96 33.31 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.48 -65.1 3.79 Favored Glycine 0 C--N 1.358 1.753 0 C-N-CA 125.642 1.591 . . . . 0.0 113.145 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.64 99.87 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.991 -1.299 . . . . 0.0 112.794 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.1 -40.47 64.16 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.43 30.71 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 120.976 -1.078 . . . . 0.0 113.548 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.08 -49.77 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 121.668 -0.901 . . . . 0.0 112.52 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -37.09 -61.02 0.59 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.314 1.846 . . . . 0.0 115.181 163.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -65.14 -50.62 65.31 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -70.7 -24.35 62.64 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.116 -1.615 . . . . 0.0 112.873 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.41 -48.77 76.45 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.495 1.518 . . . . 0.0 111.911 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.1 -46.02 65.71 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.352 -0.843 . . . . 0.0 113.058 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.9 ttp -70.19 -50.05 44.11 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -172.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -93.24 -58.78 2.2 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.755 -1.216 . . . . 0.0 112.805 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 2.4 t -88.75 91.31 8.77 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 124.438 2.066 . . . . 0.0 113.269 -169.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -77.32 151.62 34.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 119.832 -1.792 . . . . 0.0 111.506 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--N 1.362 1.136 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 172.011 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 56.8 t -66.1 -34.96 73.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.205 -1.559 . . . . 0.0 111.876 167.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.1 -72.95 0.16 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.505 -1.997 . . . . 0.0 111.015 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -14.76 -73.32 0.01 OUTLIER 'General case' 0 C--N 1.355 0.82 1 N-CA-C 122.019 4.081 . . . . 0.0 122.019 151.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 120.49 -38.64 2.66 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 124.025 0.822 . . . . 0.0 111.819 -169.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -82.35 128.61 34.39 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 124.037 1.875 . . . . 0.0 115.933 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.7 m -55.18 146.27 19.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 126.724 2.009 . . . . 0.0 113.196 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.59 58.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 118.102 -2.874 . . . . 0.0 114.035 169.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -56.96 -34.56 68.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 113.348 171.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -76.8 -34.51 57.93 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.121 1.768 . . . . 0.0 111.531 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.69 78.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.37 -1.456 . . . . 0.0 112.47 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -44.46 -60.51 1.92 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 165.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.75 -30.1 47.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 125.788 1.635 . . . . 0.0 114.671 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.2 -42.57 93.43 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.136 0.974 . . . . 0.0 110.84 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -62.0 -57.8 10.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 159.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 71.1 mtm -58.24 -61.97 2.18 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 123.519 2.872 . . . . 0.0 117.838 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -111.42 -10.14 14.21 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.87 -13.85 19.87 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.947 -1.096 . . . . 0.0 110.735 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.53 79.13 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 120.537 -1.352 . . . . 0.0 116.077 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 10.7 mt -97.66 123.54 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 118.815 1.308 . . . . 0.0 109.007 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.48 79.96 4.9 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 119.766 -1.834 . . . . 0.0 108.962 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 21.4 mtm -91.78 52.56 2.04 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 119.913 -1.742 . . . . 0.0 109.663 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -114.13 -34.25 5.42 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.473 -1.392 . . . . 0.0 112.674 -157.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 66.9 p -86.51 -161.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.193 0 O-C-N 120.913 -1.117 . . . . 0.0 109.597 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -59.17 120.06 8.5 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.892 1.677 . . . . 0.0 113.766 -174.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -122.41 95.51 4.67 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 171.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 162.14 27.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.979 1.312 . . . . 0.0 110.441 173.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 pp -58.98 -27.1 65.06 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.01 -2.307 . . . . 0.0 117.16 -171.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.59 -23.89 29.42 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 119.449 -2.032 . . . . 0.0 111.644 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -67.57 -31.82 72.16 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 119.831 -1.793 . . . . 0.0 111.201 168.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 23.3 t -57.96 -39.76 73.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 O-C-N 120.369 -1.457 . . . . 0.0 114.271 164.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.14 79.7 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 119.035 -2.291 . . . . 0.0 113.472 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.27 -39.92 92.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.119 2.168 . . . . 0.0 111.741 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.67 -35.11 73.79 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 119.715 -1.866 . . . . 0.0 112.788 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.32 -68.14 0.49 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.16 -0.963 . . . . 0.0 113.103 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -32.31 -59.84 0.29 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 160.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.63 -60.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.921 1.288 . . . . 0.0 113.048 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.6 m -45.33 -46.84 13.15 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 165.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -62.03 -47.38 85.02 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.233 -1.542 . . . . 0.0 110.345 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -55.68 -46.68 77.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 111.159 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -35.59 71.55 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.531 -1.355 . . . . 0.0 113.213 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.18 -39.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 119.791 -1.818 . . . . 0.0 113.028 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -75.04 -17.09 60.56 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 122.665 2.484 . . . . 0.0 108.766 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -72.83 -39.66 66.4 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.0 -2.313 . . . . 0.0 111.908 168.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 87.1 mt -54.2 -43.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 125.679 1.592 . . . . 0.0 113.124 170.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.31 -43.7 97.1 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.563 1.545 . . . . 0.0 112.565 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.34 62.68 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.461 1.504 . . . . 0.0 114.447 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -80.34 -54.76 5.42 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.565 -1.335 . . . . 0.0 108.372 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.07 -37.33 61.55 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.53 -1.08 25.55 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -98.76 -45.11 6.14 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 168.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -57.56 -38.97 75.66 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.422 -1.423 . . . . 0.0 114.214 171.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 15.4 tp -94.05 100.61 12.7 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 125.376 1.47 . . . . 0.0 110.417 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.77 -27.35 67.52 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -61.36 129.59 91.07 Favored Pre-proline 0 C--N 1.354 0.803 0 CA-C-N 119.837 1.199 . . . . 0.0 111.616 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo . . . . . 0 CA--C 1.515 -0.429 0 C-N-CA 121.943 1.762 . . . . 0.0 115.175 -174.609 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 122.288 1.042 . . . . 0.0 113.084 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.469 ' OD1' ' HE1' ' A' ' 44' ' ' HIS . 75.6 m-20 -82.06 -21.85 36.68 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.811 1.244 . . . . 0.0 109.948 171.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.48 -39.31 22.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 C-N-CA 126.66 1.984 . . . . 0.0 113.254 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.74 -55.86 1.42 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 127.777 2.431 . . . . 0.0 115.774 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 m -71.55 -45.12 63.2 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.427 -0.796 . . . . 0.0 111.294 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 t -54.22 -54.9 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.715 0.806 . . . . 0.0 112.128 175.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -50.47 -42.72 54.84 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 129.406 3.082 . . . . 0.0 114.927 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -55.15 -56.18 22.75 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.117 1.767 . . . . 0.0 111.745 169.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mm -52.51 -47.14 48.5 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 124.104 0.962 . . . . 0.0 113.375 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -58.49 -52.39 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.962 . . . . 0.0 111.07 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m -60.14 -45.34 93.38 Favored 'General case' 0 C--N 1.343 0.315 0 O-C-N 121.142 -0.974 . . . . 0.0 113.368 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.91 -22.17 11.02 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 O-C-N 120.594 -1.316 . . . . 0.0 112.701 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.94 58.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.463 -2.023 . . . . 0.0 112.488 168.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -73.39 -46.64 47.67 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.57 2.129 . . . . 0.0 107.745 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -32.89 -56.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 130.724 3.61 . . . . 0.0 115.159 156.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -48.95 -51.9 27.77 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 124.758 1.223 . . . . 0.0 113.22 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.07 -51.39 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 128.872 2.869 . . . . 0.0 109.763 -175.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -77.82 -40.93 38.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.291 -2.13 . . . . 0.0 110.107 -168.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.91 -62.91 1.43 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.036 0.935 . . . . 0.0 113.189 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 1.67 19.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 120.994 -1.066 . . . . 0.0 113.379 -172.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.332 64.5 mtt180 63.29 -119.69 0.54 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.665 1.186 . . . . 0.0 113.581 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -99.83 22.43 11.09 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 120.157 -1.589 . . . . 0.0 112.893 -172.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -59.65 -72.37 0.11 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.754 2.022 . . . . 0.0 113.263 173.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.47 -32.79 8.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.83 -1.168 . . . . 0.0 109.744 -172.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -44.02 -51.48 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 126.92 2.088 . . . . 0.0 113.695 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -47.0 -39.22 12.14 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -98.93 124.56 43.96 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.841 -1.162 . . . . 0.0 108.548 -157.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.42 -52.78 56.41 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -172.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.27 63.81 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.927 0.891 . . . . 0.0 113.205 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -56.1 -41.57 75.45 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.925 1.29 . . . . 0.0 112.133 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.56 -48.74 79.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.49 -1.381 . . . . 0.0 112.114 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -75.23 -36.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.363 1.165 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -169.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -48.72 -34.63 12.42 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 127.37 2.268 . . . . 0.0 115.631 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.23 -40.44 77.94 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.394 0.678 . . . . 0.0 111.359 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.87 -34.7 78.75 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.862 -1.149 . . . . 0.0 110.954 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.48 -59.47 3.96 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.555 -1.34 . . . . 0.0 111.792 171.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -35.63 -52.29 0.67 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 128.302 2.641 . . . . 0.0 118.077 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 0.2 OUTLIER -89.41 -15.62 8.79 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 119.562 -1.961 . . . . 0.0 113.875 177.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.03 55.39 2.52 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.254 -1.529 . . . . 0.0 113.955 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -92.92 144.12 10.03 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 167.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.9 p -145.44 169.91 17.4 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 120.047 -1.658 . . . . 0.0 110.487 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.469 ' HE1' ' OD1' ' A' ' 4' ' ' ASN . 75.5 t60 -138.12 136.52 36.8 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 168.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 57.42 23.01 8.52 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 124.014 1.864 . . . . 0.0 112.965 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.39 7.72 82.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 119.043 -2.286 . . . . 0.0 114.494 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -98.36 139.79 33.59 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.397 1.879 . . . . 0.0 109.771 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.97 148.34 36.36 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.927 -1.108 . . . . 0.0 108.813 173.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.88 87.26 5.34 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 119.721 -1.862 . . . . 0.0 115.875 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.81 170.89 12.67 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 147.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -59.02 -32.27 69.58 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -55.17 -53.89 50.29 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 125.755 1.622 . . . . 0.0 113.017 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -61.64 -51.13 69.75 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 121.584 -0.698 . . . . 0.0 111.738 171.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -55.4 -56.87 15.16 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.635 1.574 . . . . 0.0 114.192 -170.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -79.54 -26.49 41.44 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.804 -1.185 . . . . 0.0 111.432 -174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.0 -48.16 81.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.425 1.09 . . . . 0.0 112.461 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.8 pt -62.76 -33.44 60.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -72.43 -56.77 8.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 C-N-CA 127.535 2.334 . . . . 0.0 112.601 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.7 m -50.25 -63.73 1.03 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 127.088 2.155 . . . . 0.0 115.069 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -90.28 24.26 2.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 120.817 -1.177 . . . . 0.0 112.251 -163.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.3 151.41 47.12 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.868 -1.77 . . . . 0.0 111.009 158.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.78 171.07 15.0 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.797 1.639 . . . . 0.0 108.794 166.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -67.95 -47.91 67.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 119.96 -1.712 . . . . 0.0 115.145 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.1 -43.0 71.96 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.3 -1.5 . . . . 0.0 113.786 -173.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -35.05 -68.12 0.13 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.349 2.66 . . . . 0.0 116.912 156.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.31 75.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.219 -1.55 . . . . 0.0 114.149 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -74.01 -26.56 60.51 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 120.86 -1.15 . . . . 0.0 111.394 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -57.22 -41.21 79.07 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.023 -1.673 . . . . 0.0 112.624 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.98 -53.92 51.37 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.82 -1.175 . . . . 0.0 112.433 169.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -49.16 -54.87 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.596 1.558 . . . . 0.0 112.496 173.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.59 -36.43 66.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.252 -1.53 . . . . 0.0 114.51 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -79.8 -56.93 3.92 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 112.8 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -119.8 88.52 2.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -64.47 -64.18 0.94 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.017 -1.052 . . . . 0.0 110.055 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.65 -31.31 72.26 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.828 1.651 . . . . 0.0 111.857 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.13 -48.24 72.56 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 121.089 -1.007 . . . . 0.0 113.326 174.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.0 -47.95 55.89 Favored 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.699 -1.471 . . . . 0.0 111.354 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 125.103 1.361 . . . . 0.0 112.3 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.46 17.49 Favored Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.837 1.684 . . . . 0.0 115.279 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.84 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 120.08 1.94 . . . . 0.0 112.139 -168.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -15.73 -73.56 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 148.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -70.35 -44.65 67.72 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.084 -1.635 . . . . 0.0 113.501 -172.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.78 -47.03 82.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.438 1.017 . . . . 0.0 113.325 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -51.64 68.85 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.721 -1.237 . . . . 0.0 112.346 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.66 -9.78 58.91 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.947 -1.096 . . . . 0.0 113.209 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -81.07 -49.54 10.76 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.365 -1.46 . . . . 0.0 111.202 168.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.47 -54.89 16.34 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.746 1.218 . . . . 0.0 112.673 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.0 p -84.41 85.73 7.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.697 1.237 . . . . 0.0 111.56 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -70.54 151.88 44.58 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.232 -1.542 . . . . 0.0 111.859 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 C--N 1.357 0.912 0 O-C-N 120.193 -1.567 . . . . 0.0 112.576 -164.764 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.63 -46.7 72.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 C-N-CA 125.033 1.333 . . . . 0.0 113.592 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.38 -42.43 73.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.952 1.301 . . . . 0.0 114.008 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -83.44 -24.41 31.86 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.661 -1.274 . . . . 0.0 111.604 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 137.31 -30.54 2.61 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 120.321 -1.487 . . . . 0.0 113.795 162.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.85 138.61 32.45 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 121.11 -1.229 . . . . 0.0 113.843 -165.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 4.3 m -76.08 155.31 34.89 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 119.995 -1.691 . . . . 0.0 112.15 173.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -29.35 -47.02 0.06 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 158.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -73.56 -28.66 61.97 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.406 -2.059 . . . . 0.0 113.168 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.84 -34.66 51.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.31 2.244 . . . . 0.0 109.401 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.07 75.0 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.809 -1.182 . . . . 0.0 111.795 166.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.3 -37.89 86.46 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.057 -1.652 . . . . 0.0 110.67 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.06 -39.28 57.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 O-C-N 119.494 -2.004 . . . . 0.0 114.751 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.58 -47.06 77.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.308 1.443 . . . . 0.0 110.902 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -61.8 -42.94 99.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.042 1.737 . . . . 0.0 113.438 166.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 89.2 mtp -74.99 -66.85 0.71 Allowed 'General case' 0 CA--C 1.531 0.232 0 O-C-N 117.245 -3.41 . . . . 0.0 114.803 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -91.79 -41.3 10.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.831 -1.168 . . . . 0.0 111.947 -165.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -71.08 -24.95 62.42 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.488 -0.758 . . . . 0.0 111.222 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.18 29.32 56.74 Favored Glycine 0 C--N 1.346 1.106 0 O-C-N 121.143 -0.973 . . . . 0.0 115.483 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -101.91 126.75 55.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 118.966 1.383 . . . . 0.0 109.633 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -86.96 85.27 7.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.732 -1.23 . . . . 0.0 111.484 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -93.86 64.79 3.47 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.105 -1.622 . . . . 0.0 111.112 171.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -120.74 -20.24 7.08 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.411 -1.431 . . . . 0.0 112.705 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 55.0 p -97.14 -152.13 0.38 Allowed 'General case' 0 C--N 1.344 0.363 0 O-C-N 120.504 -1.373 . . . . 0.0 111.325 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.24 113.45 7.42 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.537 2.335 . . . . 0.0 112.011 -166.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -127.4 85.06 2.32 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.986 -1.071 . . . . 0.0 110.127 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.95 170.79 9.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.132 1.373 . . . . 0.0 111.915 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 41.2 tp -80.56 -23.51 39.88 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 119.028 -2.295 . . . . 0.0 111.644 -159.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.03 -41.97 73.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.283 -1.511 . . . . 0.0 111.317 164.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.42 -40.64 95.16 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 126.175 1.79 . . . . 0.0 113.857 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 88.2 t -55.77 -45.59 79.51 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 O-C-N 120.305 -1.497 . . . . 0.0 114.335 164.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.31 -36.94 93.77 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 120.151 -1.593 . . . . 0.0 112.747 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -77.82 -24.03 48.85 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.973 -1.31 . . . . 0.0 109.412 -172.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -76.29 -18.52 58.93 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.913 -1.742 . . . . 0.0 112.641 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -20.58 56.56 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.535 -1.978 . . . . 0.0 113.614 170.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -68.67 -72.41 0.18 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.428 1.091 . . . . 0.0 112.727 150.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.72 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 126.066 1.747 . . . . 0.0 113.686 -165.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 91.2 m -49.38 -32.52 11.65 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 167.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -69.36 -48.73 60.41 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 117.968 -2.957 . . . . 0.0 111.315 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -49.83 -43.61 48.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 125.909 1.683 . . . . 0.0 112.606 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -53.33 -43.94 68.04 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.103 1.361 . . . . 0.0 113.94 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.7 -43.42 87.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 120.623 -1.298 . . . . 0.0 111.152 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -19.68 61.14 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.74 -1.85 . . . . 0.0 109.893 -174.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -76.66 -37.5 56.13 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.445 1.498 . . . . 0.0 112.805 166.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.9 mt -57.74 -44.84 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 119.097 -2.252 . . . . 0.0 112.68 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.86 -55.08 29.92 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 130.178 3.391 . . . . 0.0 111.062 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -39.9 -40.89 1.08 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.98 17.6 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.392 -1.443 . . . . 0.0 112.104 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -55.48 -40.35 71.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 53.4 mt -64.47 -16.83 63.14 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 174.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -96.65 -33.95 11.57 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.282 1.433 . . . . 0.0 108.031 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 120.347 -1.47 . . . . 0.0 114.625 169.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.4 tt -91.82 100.2 12.93 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 123.097 1.427 . . . . 0.0 111.992 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -50.28 -66.83 0.32 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -83.18 148.93 57.48 Favored Pre-proline 0 C--N 1.346 0.427 0 O-C-N 120.216 -1.553 . . . . 0.0 113.734 -160.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo . . . . . 0 N--CA 1.462 -0.327 0 C-N-CA 121.764 1.643 . . . . 0.0 114.984 175.153 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp . . . . . 0 N--CA 1.442 -0.865 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -107.94 -52.03 2.82 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.992 -1.068 . . . . 0.0 108.57 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.9 tp -70.03 -12.09 15.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.553 -1.342 . . . . 0.0 112.775 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -86.48 1.22 52.26 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 118.668 -2.52 . . . . 0.0 112.346 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 m -103.91 -47.61 4.15 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.914 -2.624 . . . . 0.0 103.914 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.0 t -49.39 -51.12 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.711 1.604 . . . . 0.0 110.874 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.0 65.88 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.988 -1.695 . . . . 0.0 115.406 167.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.02 -64.35 0.86 Allowed 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.082 1.353 . . . . 0.0 113.08 171.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.5 mt -45.54 -47.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 126.986 2.114 . . . . 0.0 113.774 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -68.44 -37.78 78.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 O-C-N 121.626 -0.671 . . . . 0.0 110.735 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -58.25 -55.56 33.39 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.748 -1.22 . . . . 0.0 112.851 169.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.95 -43.42 97.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 123.095 1.426 . . . . 0.0 112.292 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -14.4 62.87 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.635 1.174 . . . . 0.0 113.027 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -70.1 -60.4 2.31 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-O 125.663 2.649 . . . . 0.0 106.991 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mt -27.49 -51.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.974 1 C-N-CA 133.161 4.584 . . . . 0.0 115.474 158.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -45.95 -51.01 14.07 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.252 1.421 . . . . 0.0 111.877 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.69 -50.5 33.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.596 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -50.94 -45.78 60.74 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -170.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.25 -52.43 3.82 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.279 1.432 . . . . 0.0 111.539 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.283 73.8 m -82.04 -34.97 29.25 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -171.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.495 26.1 mmt180 73.62 -126.58 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.064 2.546 . . . . 0.0 113.426 -154.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -98.99 12.65 35.34 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 118.468 -2.645 . . . . 0.0 115.8 -165.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -50.84 -50.64 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 172.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.05 -48.0 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.961 0.801 . . . . 0.0 110.295 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 27' ' ' VAL . 2.1 t -48.99 -52.34 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 C-N-CA 127.686 2.395 . . . . 0.0 116.518 -171.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -38.88 -43.39 0.94 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 127.3 45.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 119.86 1.209 . . . . 0.0 108.825 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -63.68 -44.56 93.34 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.91 1.284 . . . . 0.0 113.205 -172.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.95 -57.32 12.16 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.951 -1.093 . . . . 0.0 112.837 174.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -50.23 -40.47 47.69 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 126.48 1.912 . . . . 0.0 114.455 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.44 -52.43 53.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.409 1.883 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.73 -46.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -166.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.48 -20.3 1.8 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.451 2.701 . . . . 0.0 116.715 173.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -67.97 -38.19 82.46 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.891 1.277 . . . . 0.0 110.297 173.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.01 7.03 7.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.328 1.851 . . . . 0.0 111.967 170.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -103.76 -58.78 1.82 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -27.9 -51.96 0.08 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 118.904 2.927 . . . . 0.0 118.904 164.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.56 -5.35 9.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 124.511 1.124 . . . . 0.0 110.908 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.29 65.35 1.95 Allowed Glycine 0 C--N 1.352 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 115.625 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.0 t -101.18 120.36 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.9 p -120.67 169.73 10.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.828 1.299 . . . . 0.0 111.92 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -163.39 125.12 2.46 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 116.903 -1.522 . . . . 0.0 107.369 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.321 4.9 mm-40 76.92 -0.46 2.97 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-N 123.737 2.971 . . . . 0.0 112.468 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.08 3.37 38.99 Favored Glycine 0 C--N 1.34 0.755 0 C-N-CA 126.546 2.022 . . . . 0.0 112.596 173.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -110.66 146.02 36.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 121.463 -1.022 . . . . 0.0 110.516 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -73.75 125.72 28.75 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 158.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -78.24 92.63 4.5 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 123.113 1.435 . . . . 0.0 114.298 -168.292 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -75.2 -178.24 3.82 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.887 -1.133 . . . . 0.0 111.536 169.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -34.63 -63.91 0.28 Allowed 'General case' 0 C--N 1.352 0.703 0 C-N-CA 128.388 2.675 . . . . 0.0 116.8 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -43.09 -68.04 0.23 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.972 3.309 . . . . 0.0 115.058 166.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -36.07 83.16 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 125.168 1.387 . . . . 0.0 112.583 -166.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.24 -58.17 8.73 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 125.897 1.679 . . . . 0.0 112.956 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 -65.58 -33.55 76.17 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.221 -1.549 . . . . 0.0 113.271 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -57.52 -57.66 11.72 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.082 0.953 . . . . 0.0 113.349 171.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -40.59 87.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.871 -1.143 . . . . 0.0 112.155 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.05 -23.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 O-C-N 121.134 -0.979 . . . . 0.0 109.257 -172.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 t -79.53 -48.45 13.83 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 119.687 -1.883 . . . . 0.0 110.176 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -88.1 6.54 35.86 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -162.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -75.93 -179.29 4.78 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.597 -1.314 . . . . 0.0 114.094 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -89.73 150.57 22.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 122.958 1.361 . . . . 0.0 112.215 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -68.53 -43.41 76.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.122 2.169 . . . . 0.0 115.664 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.66 -57.47 5.12 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.043 -1.661 . . . . 0.0 112.987 -174.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -24.45 -51.08 0.03 OUTLIER 'General case' 0 C--N 1.347 0.491 0 N-CA-C 119.481 3.141 . . . . 0.0 119.481 157.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -88.49 -21.29 24.25 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.802 -1.811 . . . . 0.0 110.325 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -81.4 -33.31 32.33 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 122.396 1.093 . . . . 0.0 108.474 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.7 m -58.3 -46.05 86.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 125.95 1.7 . . . . 0.0 111.405 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.9 -32.06 63.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 164.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.8 mt -89.38 -35.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 -165.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.88 -39.59 92.47 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.972 1.309 . . . . 0.0 111.984 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -71.8 -55.28 7.87 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.571 -1.331 . . . . 0.0 112.514 170.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -119.42 96.12 5.08 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.183 -0.948 . . . . 0.0 112.651 -176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.55 -54.03 11.85 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.395 -1.441 . . . . 0.0 112.47 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.12 -36.16 83.13 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.953 -1.092 . . . . 0.0 111.857 173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -62.47 5.46 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.052 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -76.01 -59.71 2.64 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.599 -1.53 . . . . 0.0 112.231 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.01 -33.93 74.45 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.749 -1.845 . . . . 0.0 113.411 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.35 -49.02 46.43 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 121.32 1.873 . . . . 0.0 114.01 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.04 -50.74 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 O-C-N 120.89 -1.359 . . . . 0.0 113.264 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -45.62 -50.2 13.52 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.308 2.243 . . . . 0.0 116.234 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -63.5 -45.12 92.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.254 1.422 . . . . 0.0 110.473 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -69.53 -38.26 77.45 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.868 -1.145 . . . . 0.0 113.881 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.82 -44.77 96.19 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.326 -1.484 . . . . 0.0 112.442 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.71 1.604 . . . . 0.0 112.542 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.1 tpp -64.74 -55.39 20.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.038 1.335 . . . . 0.0 114.044 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -82.76 -35.76 26.31 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 113.605 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.87 97.87 10.68 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 120.887 -1.133 . . . . 0.0 109.441 -172.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -100.15 103.0 14.45 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 120.701 -1.249 . . . . 0.0 112.487 -166.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--N 1.355 0.845 0 C-N-CA 126.033 1.733 . . . . 0.0 113.932 177.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.26 49.3 p-10 . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.6 t -42.1 -44.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 113.598 154.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.04 -74.74 0.1 Allowed 'General case' 0 C--N 1.35 0.623 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.89 22.18 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.769 2.077 . . . . 0.0 114.114 -168.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.77 -15.49 14.14 Favored Glycine 0 C--N 1.359 1.817 0 CA-C-N 121.228 1.831 . . . . 0.0 114.832 166.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.11 132.82 34.66 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 124.669 2.176 . . . . 0.0 115.435 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.1 m -73.13 152.72 41.05 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 112.638 -2.073 . . . . 0.0 111.772 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.88 52.68 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.838 -1.789 . . . . 0.0 113.719 169.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.79 -38.03 89.58 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 123.034 1.397 . . . . 0.0 112.741 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -74.36 -40.64 62.0 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.406 1.882 . . . . 0.0 111.123 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.74 72.15 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.237 1.015 . . . . 0.0 112.996 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -45.27 -64.23 0.77 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.239 1.416 . . . . 0.0 113.346 163.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.81 -22.53 28.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -171.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.95 -44.91 91.53 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.494 1.117 . . . . 0.0 111.966 173.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -91.5 -0.53 57.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.336 -1.478 . . . . 0.0 114.484 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 75.9 mtm -87.7 -61.53 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 O-C-N 119.908 -1.745 . . . . 0.0 109.727 169.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -89.95 -57.87 2.71 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.628 1.171 . . . . 0.0 113.264 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -68.07 -25.53 65.39 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 112.399 -165.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.91 35.85 34.01 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 120.759 -1.213 . . . . 0.0 114.891 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.4 mt -109.3 124.38 65.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.346 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 170.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.01 138.25 34.93 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.058 0.943 . . . . 0.0 110.673 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.11 76.87 1.59 Allowed 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.353 -0.842 . . . . 0.0 110.227 171.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -124.69 57.56 1.26 Allowed 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.517 -1.365 . . . . 0.0 107.373 161.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.29 169.34 13.64 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.815 -1.178 . . . . 0.0 110.89 -170.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.6 128.36 35.47 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 127.799 2.44 . . . . 0.0 111.88 160.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -123.94 114.26 19.56 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.274 0.629 . . . . 0.0 111.269 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.0 p -86.52 -176.95 6.05 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 158.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -10.85 58.56 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.595 -1.316 . . . . 0.0 111.057 171.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -82.55 -35.41 27.23 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 120.271 -1.518 . . . . 0.0 109.286 173.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.68 -43.7 97.4 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 120.347 -1.471 . . . . 0.0 112.145 170.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.24 -41.23 18.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 120.698 -1.251 . . . . 0.0 113.675 167.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -67.09 -33.47 83.51 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 119.543 -1.973 . . . . 0.0 114.83 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -70.99 -37.75 72.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.434 2.294 . . . . 0.0 111.535 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.99 -29.14 70.59 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 119.185 -2.197 . . . . 0.0 112.693 168.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -51.99 22.85 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 125.566 1.546 . . . . 0.0 112.214 173.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -49.1 -38.21 23.94 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 167.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.17 -72.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.633 -0.667 . . . . 0.0 109.713 170.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.3 m -42.8 -54.28 4.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -64.92 -45.35 86.2 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 120.797 1.635 . . . . 0.0 110.393 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.24 -42.13 89.02 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -56.0 -35.96 67.38 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 119.687 -1.883 . . . . 0.0 113.492 171.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 27.4 mt -60.24 -34.73 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 O-C-N 120.022 -1.674 . . . . 0.0 112.126 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -77.64 -21.7 51.82 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 121.487 1.949 . . . . 0.0 109.775 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -65.95 -37.97 87.41 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 118.695 -2.503 . . . . 0.0 112.136 164.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.33 -47.27 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.582 -1.324 . . . . 0.0 113.161 166.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.79 -54.05 47.24 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 124.785 1.234 . . . . 0.0 111.067 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -49.88 -49.34 49.85 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.298 2.239 . . . . 0.0 113.591 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -69.65 -44.82 69.77 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.106 -0.996 . . . . 0.0 112.106 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.29 68.58 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.403 -1.435 . . . . 0.0 114.693 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 68.6 mt -75.8 -14.16 60.3 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.51 -1.369 . . . . 0.0 113.876 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -89.05 -37.76 14.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.916 2.087 . . . . 0.0 108.846 170.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.36 -22.44 66.8 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.1 mt -78.86 158.45 28.12 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.505 1.621 . . . . 0.0 112.296 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 -54.19 2.51 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 126.383 1.873 . . . . 0.0 109.017 -160.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -80.92 140.59 50.3 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 156.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 C--N 1.322 -0.836 0 CA-C-N 122.795 2.034 . . . . 0.0 109.976 174.867 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tptt . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.1 p30 -52.48 -27.93 18.26 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 171.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.49 -33.57 64.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.307 -1.496 . . . . 0.0 110.59 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.02 -43.82 94.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 127.17 2.188 . . . . 0.0 111.86 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -59.28 -47.42 85.43 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 125.315 1.446 . . . . 0.0 111.556 170.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.26 90.3 t -57.45 -49.53 79.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.832 1.253 . . . . 0.0 111.659 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -47.7 -44.75 27.89 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.186 -1.571 . . . . 0.0 114.489 167.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -61.51 -61.18 2.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.012 0.925 . . . . 0.0 112.39 170.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -42.63 -50.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 127.442 2.297 . . . . 0.0 113.664 176.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mm -65.3 -46.7 89.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.45 1.5 . . . . 0.0 111.545 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -62.94 -52.24 63.82 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.426 -1.421 . . . . 0.0 113.641 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.62 -32.23 51.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 O-C-N 120.286 -1.509 . . . . 0.0 112.135 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -20.98 61.17 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.922 -1.737 . . . . 0.0 113.058 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 m -70.33 -45.19 66.68 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 120.27 -1.518 . . . . 0.0 108.13 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.5 mt -37.03 -63.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 128.876 2.87 . . . . 0.0 114.232 160.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.1 mt -49.77 -47.24 51.13 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.62 1.676 . . . . 0.0 113.376 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.81 -57.77 10.53 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 128.771 2.828 . . . . 0.0 113.316 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.58 -45.48 71.92 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 118.47 -2.644 . . . . 0.0 110.98 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -73.59 -51.83 15.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.254 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -116.83 -11.52 10.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.011 -1.056 . . . . 0.0 113.468 -170.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.296 8.3 tpp180 48.46 -116.75 0.84 Allowed 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.771 2.028 . . . . 0.0 116.186 176.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -92.43 -2.68 56.12 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.987 -1.696 . . . . 0.0 112.251 -170.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.64 -55.66 21.79 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.44 1.496 . . . . 0.0 110.631 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 pt -87.93 -48.85 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 O-C-N 120.612 -1.305 . . . . 0.0 112.042 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.72 -44.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 128.541 2.736 . . . . 0.0 116.325 174.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.25 -28.91 20.51 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -90.27 96.14 10.52 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -170.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.43 73.15 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 119.391 -2.068 . . . . 0.0 114.745 -161.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.57 67.61 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.031 -1.668 . . . . 0.0 114.162 166.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -54.39 -43.28 71.28 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.212 1.405 . . . . 0.0 114.77 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -54.84 -49.81 70.16 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.158 0.983 . . . . 0.0 111.738 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.07 -37.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-O 122.763 1.268 . . . . 0.0 107.963 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.25 57.88 Favored 'General case' 0 C--N 1.364 1.214 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -33.06 74.25 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.886 1.274 . . . . 0.0 110.686 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -71.25 -40.82 70.77 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 122.68 1.228 . . . . 0.0 111.06 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -67.15 -37.98 84.72 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.344 -2.097 . . . . 0.0 112.763 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.98 -53.04 2.41 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.778 2.831 . . . . 0.0 114.834 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -15.98 7.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 58.61 2.11 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 119.261 -2.15 . . . . 0.0 115.447 171.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.61 126.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 48' ' ' LYS . 70.4 p -117.84 171.84 7.78 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 119.923 -1.735 . . . . 0.0 112.257 -176.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.55 149.46 35.89 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 166.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 60.2 0.17 0.28 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.49 -16.7 44.33 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 120.567 -1.333 . . . . 0.0 111.862 -172.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -98.2 141.47 31.07 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.993 0.917 . . . . 0.0 110.557 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HA ' HG22 ' A' ' 43' ' ' THR . 63.5 mttm -74.43 122.41 22.96 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 173.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.313 0.8 OUTLIER -74.63 82.87 2.05 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 123.654 1.693 . . . . 0.0 114.479 -164.281 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -71.91 170.97 12.62 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 120.853 -1.154 . . . . 0.0 110.189 168.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -42.02 -45.79 3.98 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 127.59 2.356 . . . . 0.0 116.833 -170.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -50.71 -64.12 0.91 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.322 1.849 . . . . 0.0 113.389 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.5 m -66.2 -32.78 74.42 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.553 -1.342 . . . . 0.0 113.076 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.09 -42.19 99.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.972 -1.08 . . . . 0.0 113.573 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -76.35 -30.44 57.61 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.132 -1.605 . . . . 0.0 110.385 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.48 -53.62 56.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 125.135 1.374 . . . . 0.0 113.855 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.53 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.44 -41.95 22.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 C-N-CA 127.882 2.473 . . . . 0.0 112.655 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.2 p -65.38 -28.77 69.5 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.137 -1.602 . . . . 0.0 114.842 167.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.62 -22.09 1.87 Allowed 'General case' 0 C--N 1.349 0.554 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 165.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.26 138.17 53.69 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.915 -1.74 . . . . 0.0 113.234 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.46 178.59 6.48 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.108 0.963 . . . . 0.0 108.961 173.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -62.89 -51.59 66.37 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 119.369 -2.082 . . . . 0.0 115.396 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.1 -59.31 3.57 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 122.721 1.248 . . . . 0.0 113.1 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.251 1.7 m-20 -11.86 -77.24 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.77 3.228 . . . . 0.0 118.144 147.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.63 -37.72 85.04 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.366 -1.459 . . . . 0.0 114.387 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 121.214 -0.929 . . . . 0.0 110.842 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.2 m -52.56 -47.51 66.74 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.036 2.135 . . . . 0.0 113.474 168.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.96 -42.34 73.31 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.829 -1.169 . . . . 0.0 111.994 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mt -48.12 -48.98 12.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 126.069 1.748 . . . . 0.0 112.35 165.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.59 74.8 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.538 -1.351 . . . . 0.0 114.107 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.57 -69.04 0.45 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.467 1.107 . . . . 0.0 113.176 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -119.68 96.27 5.12 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.225 -0.922 . . . . 0.0 111.652 -163.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -64.9 -58.98 4.72 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.632 1.173 . . . . 0.0 113.212 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.8 -34.44 77.82 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.663 -1.273 . . . . 0.0 112.09 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.1 -50.51 45.54 Favored Glycine 0 C--N 1.344 1.018 0 O-C-N 120.918 -1.114 . . . . 0.0 113.528 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -78.57 -63.02 1.5 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.864 -1.374 . . . . 0.0 111.797 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -62.88 -27.85 69.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.659 -1.276 . . . . 0.0 113.216 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.31 -56.37 20.49 Favored Glycine 0 C--N 1.348 1.221 0 O-C-N 121.435 -0.79 . . . . 0.0 113.038 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.88 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 CA-C-N 120.372 2.086 . . . . 0.0 112.169 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -44.05 -61.2 1.55 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 128.361 2.664 . . . . 0.0 113.788 162.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -58.83 -41.65 87.41 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.55 -41.41 75.94 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.904 -1.122 . . . . 0.0 111.501 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.1 tp -53.81 -59.27 4.84 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.649 1.58 . . . . 0.0 114.578 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.9 -20.31 61.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 121.267 -0.896 . . . . 0.0 112.298 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -71.51 -63.52 1.1 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.226 -0.921 . . . . 0.0 111.66 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -9.6 57.49 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -167.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -83.62 144.67 29.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.896 -1.752 . . . . 0.0 113.166 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.45 125.99 17.94 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.707 1.603 . . . . 0.0 114.925 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 N--CA 1.451 -0.418 0 O-C-N 120.912 -1.117 . . . . 0.0 109.969 173.83 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.11 -44.71 83.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 O-C-N 120.946 -1.096 . . . . 0.0 111.072 173.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.76 -56.51 20.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . 0.406 ' HB2' HG11 ' B' ' 576' ' ' VAL . . . -78.81 -25.0 44.2 Favored 'General case' 0 C--N 1.372 1.56 0 CA-C-N 122.244 2.293 . . . . 0.0 112.579 -172.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 115.36 -11.15 19.5 Favored Glycine 0 CA--C 1.496 -1.129 0 O-C-N 120.962 -1.086 . . . . 0.0 113.603 166.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.97 131.81 34.43 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 123.896 1.808 . . . . 0.0 113.898 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 78.2 p -74.96 165.05 25.88 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 122.537 1.161 . . . . 0.0 111.272 170.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.52 39.85 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.319 1.447 . . . . 0.0 113.719 171.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -74.2 -39.01 63.44 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 127.352 2.261 . . . . 0.0 111.316 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -75.42 -29.64 59.81 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 0.0 109.578 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.94 -37.54 61.97 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.341 -1.474 . . . . 0.0 113.116 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -46.07 -66.76 0.36 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.94 2.096 . . . . 0.0 112.363 167.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . 0.455 ' HA ' ' HB2' ' B' ' 561' ' ' MET . 97.8 t -54.06 -30.02 19.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.903 2.081 . . . . 0.0 114.725 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.83 -39.55 87.69 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.194 -1.566 . . . . 0.0 113.149 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -70.94 -60.36 2.28 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 119.803 -1.811 . . . . 0.0 110.588 164.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' B' ' 558' ' ' VAL . 0.2 OUTLIER -39.14 -52.24 1.9 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 178.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -108.03 -41.33 4.97 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.625 1.17 . . . . 0.0 112.265 -172.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -95.49 -13.01 24.9 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.361 -0.837 . . . . 0.0 111.227 -169.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 67.52 29.32 73.93 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 120.164 -1.585 . . . . 0.0 115.162 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.19 125.12 67.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 124.506 1.123 . . . . 0.0 108.386 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.23 100.22 10.72 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.684 -1.26 . . . . 0.0 110.533 -177.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.6 mtm -96.66 -4.73 40.41 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.902 -1.124 . . . . 0.0 112.273 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.96 54.75 0.0 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 119.67 3.211 . . . . 0.0 119.67 167.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . 0.457 HG22 ' H ' ' B' ' 570' ' ' ASP . 0.8 OUTLIER -128.04 -175.59 3.54 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 118.562 -2.586 . . . . 0.0 108.867 -176.243 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . 0.457 ' H ' HG22 ' B' ' 569' ' ' THR . 28.4 t70 -74.24 114.79 13.01 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 159.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.89 97.56 5.41 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.582 1.182 . . . . 0.0 109.473 -168.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.12 161.8 30.37 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.311 1.444 . . . . 0.0 111.253 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.37 -27.47 56.42 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.162 -2.211 . . . . 0.0 111.786 -164.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.55 -45.22 95.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.347 1.859 . . . . 0.0 111.928 165.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.21 -30.59 70.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.583 2.353 . . . . 0.0 114.516 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' B' ' 549' ' ' ALA . 75.5 t -51.42 -40.57 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 O-C-N 120.563 -1.336 . . . . 0.0 114.302 164.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.16 88.11 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.431 -2.043 . . . . 0.0 113.703 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.1 -44.5 88.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 130.164 3.386 . . . . 0.0 111.529 170.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -24.32 65.25 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 118.994 -2.316 . . . . 0.0 113.636 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -54.68 11.08 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.714 -1.241 . . . . 0.0 111.632 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.95 -56.7 3.17 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 164.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.51 -62.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 124.548 1.139 . . . . 0.0 111.565 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 22.5 m -41.8 -49.27 4.39 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 166.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -69.99 -43.36 71.59 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 120.633 1.561 . . . . 0.0 110.583 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -54.79 -47.78 73.55 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.866 1.266 . . . . 0.0 111.901 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.24 -31.11 71.63 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.785 -1.197 . . . . 0.0 111.603 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.27 95.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.32 -2.113 . . . . 0.0 112.452 170.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -73.7 -20.07 60.64 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-N 123.598 2.908 . . . . 0.0 108.673 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -66.73 -37.14 84.07 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.683 -1.886 . . . . 0.0 113.914 162.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.06 -44.61 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.401 1.48 . . . . 0.0 114.612 167.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -47.48 -54.18 12.2 Favored 'General case' 0 C--N 1.364 1.227 0 C-N-CA 126.345 1.858 . . . . 0.0 110.248 176.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.07 -43.93 20.56 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 127.622 2.369 . . . . 0.0 114.464 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -81.7 -26.66 34.46 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.78 -1.2 . . . . 0.0 111.309 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.73 -34.05 46.18 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.777 -1.202 . . . . 0.0 111.199 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.27 5.46 3.56 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.291 -1.506 . . . . 0.0 113.556 168.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -107.31 -20.95 13.11 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 126.554 1.942 . . . . 0.0 110.392 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -70.56 -26.0 63.35 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 118.663 -2.523 . . . . 0.0 113.461 158.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.43 159.7 19.9 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.412 1.577 . . . . 0.0 112.71 164.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -154.88 -47.35 0.09 Allowed 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 126.69 1.996 . . . . 0.0 107.463 -162.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -72.47 124.4 90.74 Favored Pre-proline 0 C--N 1.352 0.705 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 157.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo . . . . . 0 CA--C 1.512 -0.585 0 CA-C-N 123.842 2.408 . . . . 0.0 115.553 -163.201 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.8 mttp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.68 -53.35 7.24 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.616 -1.302 . . . . 0.0 110.364 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.07 -25.09 35.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.5 -41.78 96.24 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 118.892 -2.38 . . . . 0.0 114.267 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.7 m -60.59 -40.6 92.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.624 -1.923 . . . . 0.0 110.75 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -57.08 -54.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 125.404 1.482 . . . . 0.0 111.887 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -48.77 -49.12 40.09 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.332 1.853 . . . . 0.0 113.605 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.62 -56.18 25.54 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.965 0.906 . . . . 0.0 112.505 174.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -45.66 -52.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.96 1.704 . . . . 0.0 114.726 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 27.6 pt -68.61 -42.66 83.52 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 O-C-N 120.868 -1.145 . . . . 0.0 111.81 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.3 m -60.74 -46.29 91.0 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.046 1.338 . . . . 0.0 112.499 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.18 -30.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 O-C-N 119.826 -1.796 . . . . 0.0 111.818 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.68 -22.06 54.5 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 120.017 -1.677 . . . . 0.0 114.519 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -70.9 -47.27 60.05 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.877 -1.764 . . . . 0.0 108.949 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -32.3 -52.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 129.413 3.085 . . . . 0.0 116.734 156.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.1 mt -48.61 -54.8 13.2 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 120.239 1.382 . . . . 0.0 111.856 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.9 mm -64.59 -38.67 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 127.881 2.472 . . . . 0.0 111.281 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -59.7 3.23 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 123.848 1.785 . . . . 0.0 110.465 -176.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -81.31 -59.13 2.75 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.624 2.37 . . . . 0.0 112.67 -163.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -107.41 -2.36 20.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.036 -1.04 . . . . 0.0 111.332 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.309 32.4 mtm180 63.4 -127.8 0.52 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.685 1.594 . . . . 0.0 114.614 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -93.95 -6.18 46.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.199 -1.563 . . . . 0.0 112.961 -167.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.67 -48.2 80.33 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 pt -83.12 -40.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.407 1.083 . . . . 0.0 111.198 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.94 -42.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 128.85 2.86 . . . . 0.0 114.443 163.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -56.96 -36.24 70.06 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.048 1.739 . . . . 0.0 114.369 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -86.32 89.44 7.86 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -71.42 -21.23 62.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.445 -2.034 . . . . 0.0 115.607 -157.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -54.72 22.73 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.043 0.937 . . . . 0.0 113.089 164.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.04 -41.2 62.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 126.921 2.088 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.56 -52.13 64.77 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.57 1.148 . . . . 0.0 112.377 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.43 -44.6 79.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 CA-C-O 122.215 1.007 . . . . 0.0 108.584 -171.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -52.24 -22.86 4.81 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 128.289 2.635 . . . . 0.0 116.961 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -41.17 67.82 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.982 0.913 . . . . 0.0 110.318 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.17 -44.37 92.27 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.144 0.973 . . . . 0.0 109.91 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.15 -52.55 64.84 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.046 1.339 . . . . 0.0 113.114 175.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -39.33 -55.7 1.68 Allowed 'General case' 0 C--N 1.35 0.621 0 C-N-CA 127.617 2.367 . . . . 0.0 116.151 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 pt -87.39 -21.58 7.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 O-C-N 120.91 -1.119 . . . . 0.0 112.214 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.71 37.0 4.35 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 120.105 -1.622 . . . . 0.0 114.475 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.67 106.76 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -124.96 -178.91 4.33 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.085 -1.009 . . . . 0.0 109.483 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -142.95 129.46 20.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 174.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 48.3 29.26 1.86 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.27 -8.36 77.52 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 126.044 1.783 . . . . 0.0 113.702 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -99.65 137.65 37.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.545 -1.562 . . . . 0.0 110.514 -172.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -84.08 124.83 31.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.065 -1.022 . . . . 0.0 109.233 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 99.34 11.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 -158.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -63.26 179.69 0.4 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 125.757 1.623 . . . . 0.0 113.485 162.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -63.05 -39.54 95.05 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.808 -1.182 . . . . 0.0 113.001 -170.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -52.2 -59.93 3.81 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.944 1.698 . . . . 0.0 114.442 164.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -66.76 -34.79 78.62 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.595 -1.316 . . . . 0.0 113.021 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.21 -51.97 66.75 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.629 1.572 . . . . 0.0 110.696 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -69.62 -26.28 64.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.55 -1.344 . . . . 0.0 112.923 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.23 89.84 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 119.949 -1.72 . . . . 0.0 112.337 166.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -33.85 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 120.838 -1.164 . . . . 0.0 113.035 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.99 -41.84 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.033 2.133 . . . . 0.0 112.946 166.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -59.21 -51.1 71.43 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.268 -2.145 . . . . 0.0 115.275 173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.1 -29.51 60.72 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 128.304 2.641 . . . . 0.0 118.046 -172.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.18 147.87 31.12 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.826 -1.171 . . . . 0.0 113.285 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -76.36 179.47 5.8 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 123.23 1.49 . . . . 0.0 113.212 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -68.39 -40.08 81.49 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.603 -1.311 . . . . 0.0 111.977 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -59.28 -62.81 1.61 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.391 1.476 . . . . 0.0 113.22 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.309 88.2 m-20 -33.68 -63.37 0.26 Allowed 'General case' 0 C--N 1.349 0.552 0 C-N-CA 128.503 2.721 . . . . 0.0 116.377 168.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -43.91 -60.51 1.8 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.87 3.268 . . . . 0.0 115.505 169.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -75.53 -29.77 59.55 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.239 -0.913 . . . . 0.0 110.685 -172.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.7 m -56.23 -45.4 79.98 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 126.528 1.931 . . . . 0.0 113.376 166.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.7 -48.92 67.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.388 -1.445 . . . . 0.0 113.437 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.3 mt -52.6 -47.51 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 112.195 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -72.7 -16.57 61.68 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 119.898 -1.751 . . . . 0.0 114.253 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.99 -65.27 0.9 Allowed 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.567 -1.333 . . . . 0.0 110.471 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -127.47 99.18 5.51 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.9 -58.02 4.01 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.421 1.105 . . . . 0.0 109.926 -168.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -70.31 -32.73 70.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.096 2.158 . . . . 0.0 112.282 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.95 -56.62 21.48 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 125.078 1.323 . . . . 0.0 113.41 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -64.02 -39.13 93.41 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.853 -1.381 . . . . 0.0 111.413 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -52.9 -49.71 65.35 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 114.184 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.54 96.11 Favored Glycine 0 C--N 1.355 1.611 0 O-C-N 120.344 -1.472 . . . . 0.0 113.553 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.83 -49.67 82.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 O-C-N 121.698 -0.883 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -46.72 -66.73 0.36 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 163.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -71.68 -25.41 62.09 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -167.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -81.78 -38.93 24.85 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.564 -1.335 . . . . 0.0 110.76 171.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.35 -48.58 80.65 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.256 -1.528 . . . . 0.0 113.216 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -60.26 -38.79 84.58 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.719 -1.238 . . . . 0.0 114.185 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -78.47 -43.2 27.67 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.708 0.803 . . . . 0.0 112.407 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -81.01 -32.44 34.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.751 -1.218 . . . . 0.0 113.951 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -66.98 117.79 9.54 Favored 'General case' 0 C--N 1.359 0.997 0 O-C-N 119.856 -1.778 . . . . 0.0 113.188 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -42.42 97.26 0.01 OUTLIER 'General case' 0 C--N 1.358 0.97 0 C-N-CA 127.182 2.193 . . . . 0.0 116.68 -170.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 125.675 1.59 . . . . 0.0 114.772 -179.668 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 119.704 -0.189 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 85.7 t -61.49 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.398 -1.439 . . . . 0.0 112.277 172.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 47.1 mt -58.46 -46.63 86.19 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -86.49 -32.15 20.93 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 120.203 1.365 . . . . 0.0 112.001 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 121.55 -18.92 8.64 Favored Glycine 0 CA--C 1.494 -1.219 0 O-C-N 120.629 -1.294 . . . . 0.0 112.101 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.271 0.8 OUTLIER -79.26 135.85 36.88 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 124.498 2.094 . . . . 0.0 116.3 -167.317 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 82.4 p -88.02 169.72 11.73 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.898 -167.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.52 64.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.69 -1.257 . . . . 0.0 112.259 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -72.06 -50.22 30.19 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.479 -1.388 . . . . 0.0 109.556 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -58.12 -53.22 60.75 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.862 2.865 . . . . 0.0 113.315 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.43 -18.65 63.75 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.118 -0.989 . . . . 0.0 112.655 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -79.83 -44.21 20.97 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 120.158 -1.589 . . . . 0.0 109.546 170.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 9.1 t -55.34 -33.37 31.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 O-C-N 120.133 -1.604 . . . . 0.0 114.558 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.31 -53.69 52.97 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 126.256 1.822 . . . . 0.0 112.299 173.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -82.46 -12.51 57.8 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 96.3 mtp -73.86 -68.53 0.51 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 118.961 -2.337 . . . . 0.0 113.273 162.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -95.9 -42.93 8.06 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 126.105 1.762 . . . . 0.0 113.044 -160.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.67 -15.15 59.88 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 121.85 -0.531 . . . . 0.0 111.012 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 81.64 24.37 56.22 Favored Glycine 0 CA--C 1.485 -1.806 0 O-C-N 121.152 -0.968 . . . . 0.0 114.443 170.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.59 110.62 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.055 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -81.78 96.67 7.66 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.2 ptp -107.53 70.27 0.77 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 122.778 1.275 . . . . 0.0 110.493 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.86 41.4 3.37 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.273 -1.517 . . . . 0.0 111.336 -167.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 17.4 p -133.68 -178.64 5.1 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.761 -1.212 . . . . 0.0 110.69 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -59.62 71.42 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.981 2.512 . . . . 0.0 115.63 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -71.71 110.73 6.45 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.6 p -88.11 164.12 15.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.634 1.574 . . . . 0.0 110.774 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.35 -26.25 62.92 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.94 -41.05 87.65 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.175 -2.203 . . . . 0.0 113.265 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -71.16 -27.76 63.77 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.229 1.411 . . . . 0.0 111.805 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' B' ' 579' ' ' GLN . 57.6 t -61.02 -39.43 82.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 119.289 -2.132 . . . . 0.0 112.332 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -66.43 -40.34 94.4 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 119.69 -1.881 . . . . 0.0 114.569 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -54.6 -44.46 73.09 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.586 1.954 . . . . 0.0 115.075 163.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' B' ' 576' ' ' VAL 0.256 3.5 pt20 -70.47 -33.85 71.73 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 122.682 2.492 . . . . 0.0 112.72 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -34.18 77.43 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 120.176 -1.577 . . . . 0.0 114.845 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.74 -74.21 0.07 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.196 1.398 . . . . 0.0 113.116 161.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.79 -60.34 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 128.143 2.577 . . . . 0.0 111.381 -168.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -36.17 64.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 171.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -75.36 -46.97 29.8 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 118.733 -2.479 . . . . 0.0 109.068 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -51.18 -26.32 6.72 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.936 2.094 . . . . 0.0 114.19 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -70.3 -23.85 62.92 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.757 -1.214 . . . . 0.0 111.925 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 60.9 mt -76.27 -39.29 34.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 119.356 -2.09 . . . . 0.0 112.474 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.97 -48.1 0.39 Allowed 'General case' 0 C--N 1.344 0.365 0 N-CA-C 118.062 2.616 . . . . 0.0 118.062 147.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -80.35 -36.22 34.42 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.666 -1.271 . . . . 0.0 113.269 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.3 mt -55.76 -47.9 78.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 126.789 2.036 . . . . 0.0 113.728 167.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -36.19 74.53 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 121.812 0.815 . . . . 0.0 111.743 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.1 95.24 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.574 1.549 . . . . 0.0 112.267 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -67.03 -53.47 30.89 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.652 1.215 . . . . 0.0 110.62 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . 0.494 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -59.61 -31.62 69.65 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.27 -0.84 51.4 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 173.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -83.7 -37.01 23.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.014 -1.679 . . . . 0.0 108.872 160.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -76.58 -28.93 56.38 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.114 -2.241 . . . . 0.0 115.819 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.52 100.85 13.53 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.003 -1.686 . . . . 0.0 110.445 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -84.12 -3.35 58.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -170.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.39 128.85 57.72 Favored Pre-proline 0 C--N 1.349 0.574 0 O-C-N 119.388 -2.07 . . . . 0.0 112.5 176.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo . . . . . 0 N--CA 1.462 -0.357 0 C-N-CA 121.805 1.67 . . . . 0.0 114.853 177.664 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 8.1 tptm . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.557 0.694 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -100.91 -58.53 1.87 Allowed 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.626 1.17 . . . . 0.0 109.726 171.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tp -61.81 -31.82 52.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 124.927 1.291 . . . . 0.0 114.372 -165.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.22 -46.12 62.15 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.605 1.962 . . . . 0.0 114.128 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -70.55 -40.37 73.44 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 111.47 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.24 -48.06 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.407 -0.808 . . . . 0.0 111.783 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -52.53 -36.69 56.02 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.535 1.534 . . . . 0.0 114.116 167.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' CD ' HH21 ' B' ' 562' ' ' ARG . 7.0 tp10 -64.26 -60.49 3.13 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.058 0.943 . . . . 0.0 111.235 173.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -47.94 -49.17 11.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 127.421 2.289 . . . . 0.0 113.243 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 tp -64.35 -46.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 120.93 -1.106 . . . . 0.0 112.689 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 m -63.98 -47.16 81.49 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.307 -1.496 . . . . 0.0 112.97 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.97 -27.95 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.775 -1.203 . . . . 0.0 112.372 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.67 58.95 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 119.141 -2.225 . . . . 0.0 113.157 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 t -69.61 -48.89 58.48 Favored 'General case' 0 C--N 1.367 1.327 0 CA-C-O 123.211 1.481 . . . . 0.0 107.093 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.4 mt -35.42 -59.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 128.536 2.734 . . . . 0.0 115.093 161.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.51 -47.58 48.65 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 123.02 1.39 . . . . 0.0 112.453 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 mm -63.43 -62.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 C-N-CA 126.751 2.02 . . . . 0.0 111.931 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -70.78 -23.68 62.44 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.727 -1.858 . . . . 0.0 111.835 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -84.35 -64.49 1.15 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.432 1.093 . . . . 0.0 111.445 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -113.83 -5.69 13.25 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -162.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.284 1.4 tpp85 55.74 -127.61 2.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 169.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -91.02 -12.03 37.06 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 119.947 -1.721 . . . . 0.0 111.375 -165.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -64.68 -48.55 74.34 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.26 1.024 . . . . 0.0 111.868 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 pt -85.2 -45.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 121.388 -0.82 . . . . 0.0 112.58 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.39 -32.95 46.49 Favored 'Isoleucine or valine' 0 C--N 1.365 1.24 0 CA-C-O 123.451 1.596 . . . . 0.0 112.803 -160.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -43.69 -45.53 7.04 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 130.517 3.527 . . . . 0.0 114.391 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -67.77 119.54 12.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.528 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mmt-85 -61.99 -49.34 76.48 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -171.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.37 -34.0 55.14 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 121.018 -1.051 . . . . 0.0 113.763 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -62.07 -36.12 80.71 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -61.6 -63.79 1.16 Allowed 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.177 -1.577 . . . . 0.0 113.541 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -22.6 -63.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.616 2.767 . . . . 0.0 114.775 145.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.15 81.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 118.865 -2.397 . . . . 0.0 116.22 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.23 -42.81 93.02 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 125.179 1.392 . . . . 0.0 110.62 175.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.69 -38.1 77.51 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.929 -1.107 . . . . 0.0 112.387 173.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.66 -47.14 67.29 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.452 -1.405 . . . . 0.0 111.672 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -49.03 -56.25 9.54 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.43 -9.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.187 -1.571 . . . . 0.0 110.267 175.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.57 62.34 1.79 Allowed Glycine 0 CA--C 1.486 -1.748 0 O-C-N 121.383 -0.823 . . . . 0.0 114.167 158.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -89.43 129.53 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-O 124.678 2.18 . . . . 0.0 109.161 170.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -110.33 138.47 46.68 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 128.233 2.613 . . . . 0.0 109.34 -165.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.464 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 34.7 t60 -159.22 160.45 35.38 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 164.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 58.1 21.3 7.78 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 124.231 1.967 . . . . 0.0 113.608 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.56 3.05 90.12 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 126.571 2.034 . . . . 0.0 112.622 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -117.0 162.19 18.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.01 1.724 . . . . 0.0 109.289 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.642 ' H ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -79.29 132.32 36.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 153.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.393 4.0 pp -71.87 103.37 3.14 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 -161.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -85.15 -168.48 2.24 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 119.886 -1.759 . . . . 0.0 112.644 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.88 -42.34 93.53 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -163.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.28 -50.49 46.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 122.496 1.141 . . . . 0.0 112.135 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 m -63.85 -34.57 78.22 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.312 1.845 . . . . 0.0 113.134 -171.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.371 2.268 . . . . 0.0 112.092 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 120.403 -1.435 . . . . 0.0 112.023 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -53.46 -54.64 34.13 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.576 1.951 . . . . 0.0 112.887 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -32.36 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 119.993 -1.692 . . . . 0.0 112.956 -170.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.58 -23.98 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 125.763 1.625 . . . . 0.0 112.826 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 m -67.79 -43.01 80.73 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 119.469 -2.019 . . . . 0.0 114.131 161.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.21 -20.6 62.98 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 120.349 3.462 . . . . 0.0 120.349 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.32 144.95 37.68 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 119.448 -2.032 . . . . 0.0 112.04 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.6 p -74.47 174.15 9.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.278 -1.514 . . . . 0.0 113.901 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.91 -37.82 85.07 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 120.069 -1.645 . . . . 0.0 113.175 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.83 -51.11 69.58 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.761 -1.837 . . . . 0.0 113.787 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 3.2 m-20 -48.96 -55.0 13.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 125.671 2.653 . . . . 0.0 113.586 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -56.18 -51.56 67.59 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.722 2.809 . . . . 0.0 113.82 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -71.39 -35.28 71.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -174.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 m -52.0 -39.16 59.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.958 1.303 . . . . 0.0 114.053 165.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 119.348 -2.095 . . . . 0.0 113.15 169.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -50.18 -46.28 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.924 1.69 . . . . 0.0 112.365 171.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -62.85 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.09 1.756 . . . . 0.0 113.82 165.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.98 -51.61 63.49 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -171.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -131.84 68.3 1.5 Allowed 'General case' 0 CA--C 1.509 -0.631 0 O-C-N 120.791 -1.193 . . . . 0.0 109.436 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -53.48 -49.48 67.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.351 1.46 . . . . 0.0 113.956 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.06 -42.15 94.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.18 -27.63 55.31 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 119.66 -1.9 . . . . 0.0 112.242 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.8 -56.81 8.76 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.428 -1.042 . . . . 0.0 110.479 173.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.06 -44.53 41.84 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.149 2.18 . . . . 0.0 113.327 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.97 3.36 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 125.042 1.306 . . . . 0.0 113.749 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.62 -33.95 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 119.843 -1.974 . . . . 0.0 112.897 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -32.27 -57.15 0.33 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.493 2.317 . . . . 0.0 116.569 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -57.8 -62.6 1.69 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.554 1.942 . . . . 0.0 112.599 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -55.4 -38.9 69.51 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.267 1.427 . . . . 0.0 113.54 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.91 -61.4 2.33 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.101 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.0 -29.61 66.73 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.029 -1.67 . . . . 0.0 114.065 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.6 mtm -66.09 -51.43 58.08 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.668 -1.27 . . . . 0.0 112.692 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -85.3 -31.47 23.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.034 -1.041 . . . . 0.0 113.737 -171.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -65.5 118.87 10.08 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.067 -1.646 . . . . 0.0 113.74 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -41.29 130.57 2.88 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 129.329 3.052 . . . . 0.0 116.861 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 pttm . . . . . 0 C--N 1.347 0.473 0 O-C-N 119.883 -1.76 . . . . 0.0 114.094 -177.365 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.336 2.7 p30 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.15 -39.97 85.8 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 119.939 -1.726 . . . . 0.0 112.722 167.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.29 -55.45 28.12 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.68 1.127 . . . . 0.0 113.655 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -38.48 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.353 0.744 0 N-CA-C 119.277 3.065 . . . . 0.0 119.277 160.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 109.21 -27.29 12.9 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 120.742 -1.224 . . . . 0.0 112.143 -165.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -88.09 124.13 33.46 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.45 -1.03 . . . . 0.0 110.439 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . 0.526 HG22 ' H ' ' B' ' 553' ' ' ALA . 0.2 OUTLIER -75.55 -171.06 1.4 Allowed 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.376 -1.453 . . . . 0.0 113.652 -172.196 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . 0.526 ' H ' HG22 ' B' ' 552' ' ' THR . . . -52.29 -57.24 10.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -76.03 -28.73 57.82 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.208 -1.557 . . . . 0.0 111.564 -165.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.33 -47.98 62.54 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.254 2.221 . . . . 0.0 112.342 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.44 -24.08 65.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 121.179 -0.951 . . . . 0.0 112.688 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -79.33 -44.9 20.69 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.719 -1.238 . . . . 0.0 109.281 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . 0.415 ' HA ' ' HB2' ' B' ' 561' ' ' MET . 4.9 p -73.72 -17.41 17.37 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.103 -1.623 . . . . 0.0 114.776 -179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 25.7 mt -68.32 -28.6 67.3 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.287 1.435 . . . . 0.0 112.541 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -73.85 0.12 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.834 1.254 . . . . 0.0 109.919 152.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' B' ' 558' ' ' VAL . 79.0 mtp -37.73 -46.92 0.94 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 119.908 3.299 . . . . 0.0 119.908 -169.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . 0.402 HH21 ' CD ' ' A' ' 10' ' ' GLU . 25.7 mmt180 -112.34 -38.13 4.78 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.761 1.225 . . . . 0.0 112.658 -172.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -93.74 -18.91 21.58 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 123.742 0.817 . . . . 0.0 110.445 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.14 79.55 Favored Glycine 0 C--N 1.348 1.203 0 C-N-CA 124.494 1.045 . . . . 0.0 115.196 174.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.24 132.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-O 121.876 0.846 . . . . 0.0 109.551 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -92.4 95.3 9.58 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.946 -1.096 . . . . 0.0 108.762 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.77 61.17 0.8 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 123.779 1.752 . . . . 0.0 111.647 168.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.42 -16.08 7.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.158 1.783 . . . . 0.0 113.419 -167.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 19.9 p -75.58 -103.88 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.03 136.27 50.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.485 2.714 . . . . 0.0 109.129 -168.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -126.2 152.62 45.79 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.836 1.303 . . . . 0.0 111.949 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 17.5 p -123.69 167.15 14.36 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 162.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.2 -19.51 46.85 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.203 -1.561 . . . . 0.0 109.685 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.83 -54.77 38.01 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 125.2 1.4 . . . . 0.0 112.66 159.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.41 -20.07 59.13 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.08 -42.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.278 -1.514 . . . . 0.0 110.535 161.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.55 -51.31 49.03 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 124.235 0.922 . . . . 0.0 114.259 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -71.24 -28.78 64.42 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 119.093 1.446 . . . . 0.0 110.956 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -18.64 63.64 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.755 -1.84 . . . . 0.0 113.27 170.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.4 -61.74 1.76 Allowed 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.204 -1.56 . . . . 0.0 112.035 173.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -22.18 -69.54 0.03 OUTLIER 'General case' 0 C--N 1.348 0.531 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 151.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.51 -63.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.126 0.97 . . . . 0.0 112.584 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 2.4 m -55.62 -34.73 65.16 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 118.424 2.75 . . . . 0.0 118.424 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -71.17 -49.97 38.26 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.026 -2.296 . . . . 0.0 111.997 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.79 -48.16 15.59 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.662 1.585 . . . . 0.0 112.874 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 172.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.54 -36.64 77.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.109 -1.619 . . . . 0.0 111.538 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -74.39 -19.29 60.48 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 119.559 -1.963 . . . . 0.0 110.696 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.67 -22.06 34.74 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.759 1.623 . . . . 0.0 113.653 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.36 -39.99 79.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 120.074 -1.641 . . . . 0.0 112.732 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.31 -57.08 6.5 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.148 2.579 . . . . 0.0 112.92 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.49 -49.59 3.96 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 130.384 3.474 . . . . 0.0 115.55 167.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -71.06 -45.75 63.23 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.239 1.415 . . . . 0.0 110.321 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.94 67.72 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.521 1.128 . . . . 0.0 113.816 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.78 2.4 5.46 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.181 -1.574 . . . . 0.0 114.906 168.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -97.17 -39.99 9.01 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.057 -2.277 . . . . 0.0 108.848 166.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.18 -48.94 71.68 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.145 -1.597 . . . . 0.0 114.403 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.7 tp -92.74 103.19 15.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.984 -1.072 . . . . 0.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -90.7 -6.05 54.98 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -68.81 145.23 96.7 Favored Pre-proline 0 C--N 1.348 0.516 0 O-C-N 120.341 -1.475 . . . . 0.0 111.449 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.233 0.26 0 C-N-CA 122.373 2.049 . . . . 0.0 113.385 -172.138 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptp . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -65.27 -13.78 59.18 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.733 -1.854 . . . . 0.0 114.092 167.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.46 -27.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 125.109 1.363 . . . . 0.0 111.492 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.98 -49.21 74.23 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.263 -1.523 . . . . 0.0 114.031 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 m -66.22 -41.72 89.68 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.089 1.356 . . . . 0.0 111.052 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -56.6 -55.47 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.566 1.146 . . . . 0.0 111.511 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -48.06 -46.23 33.29 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.93 1.692 . . . . 0.0 114.13 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -58.88 -59.94 4.65 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.382 1.473 . . . . 0.0 112.952 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -52.87 -47.61 52.0 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 126.402 1.881 . . . . 0.0 114.286 175.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.56 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.232 1.013 . . . . 0.0 111.134 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.5 m -55.44 -51.55 66.54 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.357 -1.464 . . . . 0.0 113.846 167.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.21 -30.78 41.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 119.846 -1.784 . . . . 0.0 111.262 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.23 -18.89 61.79 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 119.627 -1.921 . . . . 0.0 114.377 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.1 m -76.34 -57.62 3.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 123.215 1.483 . . . . 0.0 107.916 -169.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -20.78 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 129.659 3.184 . . . . 0.0 117.094 152.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 mt -52.39 -41.65 63.34 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.39 1.09 . . . . 0.0 113.592 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.41 -61.97 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 127.114 2.166 . . . . 0.0 109.823 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.35 -37.57 87.98 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.996 -1.69 . . . . 0.0 112.609 -164.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.35 -59.04 2.29 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 112.735 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.6 p -109.34 -11.28 14.87 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 60.09 -170.89 0.14 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 128.028 2.531 . . . . 0.0 117.255 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.34 -20.81 0.01 OUTLIER 'General case' 0 C--N 1.352 0.688 0 C-N-CA 130.396 3.478 . . . . 0.0 118.233 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.89 -51.77 66.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.15 -1.594 . . . . 0.0 113.549 170.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mt -83.56 -50.18 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 O-C-N 119.95 -1.719 . . . . 0.0 111.55 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -35.54 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 129.333 3.053 . . . . 0.0 116.002 164.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -39.2 -46.21 1.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.418 2.287 . . . . 0.0 117.084 169.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -98.5 122.95 42.34 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -165.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -58.09 -42.01 84.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.18 84.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -54.02 -33.55 57.53 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 175.022 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -67.01 -59.88 3.1 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.069 -1.644 . . . . 0.0 111.76 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 mt -30.84 -65.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.346 0.431 0 C-N-CA 128.459 2.703 . . . . 0.0 114.653 149.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . . . -55.48 -33.01 63.31 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -42.11 60.04 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.635 1.174 . . . . 0.0 112.664 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.14 -35.99 81.95 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.142 -1.599 . . . . 0.0 111.743 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.38 -50.29 68.27 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 121.074 -1.016 . . . . 0.0 111.879 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.04 -54.88 2.18 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 128.058 2.543 . . . . 0.0 114.146 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.0 pt -87.65 -19.07 8.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.66 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.07 55.72 2.06 Favored Glycine 0 C--N 1.339 0.711 0 O-C-N 119.598 -1.939 . . . . 0.0 112.898 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 122.01 44.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 163.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -125.99 167.22 15.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.12 140.77 22.6 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 168.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.328 47.1 mt-10 75.43 8.87 3.79 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 122.997 2.635 . . . . 0.0 111.627 166.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.62 0.33 86.28 Favored Glycine 0 C--N 1.352 1.446 0 C-N-CA 126.313 1.911 . . . . 0.0 112.032 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.22 131.94 56.29 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 125.037 1.335 . . . . 0.0 110.7 -167.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -83.85 135.93 34.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.083 -1.635 . . . . 0.0 110.06 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.61 83.05 0.01 OUTLIER 'General case' 0 C--N 1.351 0.673 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -170.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -74.96 -177.19 3.22 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.921 -1.737 . . . . 0.0 112.607 161.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -65.9 -30.3 70.87 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.76 -53.67 25.39 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.791 -1.193 . . . . 0.0 111.283 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -55.57 -39.87 71.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 126.85 2.06 . . . . 0.0 112.53 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -61.45 2.57 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.161 1.385 . . . . 0.0 114.392 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -73.09 -25.41 60.87 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.321 -1.487 . . . . 0.0 111.916 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -50.63 -53.97 26.62 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -70.52 -15.99 19.46 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.34 -44.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 111.382 173.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -65.91 -63.32 1.11 Allowed 'General case' 0 C--O 1.237 0.443 0 C-N-CA 127.831 2.452 . . . . 0.0 114.639 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.57 75.38 9.1 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.844 2.259 . . . . 0.0 108.786 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 tp -131.31 140.4 49.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 112.83 -1.986 . . . . 0.0 107.402 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -67.62 143.46 56.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.182 1.393 . . . . 0.0 111.016 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -62.63 -43.4 98.9 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.609 -1.307 . . . . 0.0 112.734 173.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -60.34 -53.79 53.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 113.07 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.254 0.2 OUTLIER -81.28 -27.08 35.26 Favored 'General case' 0 C--N 1.364 1.226 0 O-C-N 121.065 -1.022 . . . . 0.0 113.607 -178.373 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -60.22 -34.61 73.9 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 122.256 2.298 . . . . 0.0 112.977 165.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -75.09 -26.4 59.27 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 121.002 -1.061 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . 0.272 28.5 p -55.51 -44.62 76.78 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.379 -1.45 . . . . 0.0 114.026 164.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.35 -46.49 90.01 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.978 -1.076 . . . . 0.0 112.079 172.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.66 -60.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.627 1.171 . . . . 0.0 112.905 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.01 -34.18 77.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.645 -1.91 . . . . 0.0 114.636 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -66.76 -56.5 10.21 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.703 -1.873 . . . . 0.0 112.403 172.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.59 70.55 0.75 Allowed 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.021 1.328 . . . . 0.0 110.509 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.59 -56.99 14.74 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.563 -1.335 . . . . 0.0 113.843 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.22 -26.7 59.14 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.68 4.25 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 120.274 -1.516 . . . . 0.0 113.592 -173.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.08 -56.17 8.54 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 119.879 -1.954 . . . . 0.0 110.396 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.78 -44.04 97.31 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.544 0.737 . . . . 0.0 111.747 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.72 -50.3 67.47 Favored Glycine 0 C--N 1.348 1.238 0 C-N-CA 123.847 0.737 . . . . 0.0 114.274 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.47 -43.18 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 O-C-N 119.078 -2.425 . . . . 0.0 111.145 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -36.79 85.51 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.301 -1.499 . . . . 0.0 112.404 -173.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -64.9 -49.1 71.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.777 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.16 -25.24 61.62 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 120.338 -1.476 . . . . 0.0 112.139 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.78 -36.84 78.79 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.222 -1.549 . . . . 0.0 114.319 167.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.3 -38.74 80.98 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.124 1.329 . . . . 0.0 111.507 169.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.0 ttp -68.61 -49.21 61.05 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.449 1.1 . . . . 0.0 113.795 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -80.22 -47.27 14.9 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.376 -1.453 . . . . 0.0 114.444 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.7 p -78.4 80.95 4.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.987 -1.696 . . . . 0.0 110.904 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -77.3 155.74 31.83 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.945 -1.722 . . . . 0.0 110.958 -172.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.0 pttt . . . . . 0 CA--C 1.517 -0.322 0 O-C-N 120.519 -1.363 . . . . 0.0 111.073 173.048 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.928 0.87 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . 0.403 HG23 ' H ' ' B' ' 547' ' ' VAL . 44.2 t -49.01 -49.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 C-N-CA 128.162 2.585 . . . . 0.0 113.454 172.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 2.2 mp -49.75 -48.3 50.29 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 126.014 1.726 . . . . 0.0 115.321 172.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.82 -34.33 52.03 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.911 -1.118 . . . . 0.0 111.439 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 130.2 -15.15 5.6 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.913 168.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.6 pp -91.96 131.71 37.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 123.368 1.556 . . . . 0.0 113.458 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 1.3 m -75.91 164.79 25.84 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.635 -1.916 . . . . 0.0 112.811 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.57 -48.32 1.41 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -57.29 -45.65 83.92 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.532 2.11 . . . . 0.0 111.511 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.47 -45.7 68.4 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 130.849 3.659 . . . . 0.0 111.788 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.88 82.08 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.107 1.432 . . . . 0.0 111.874 172.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.96 -44.23 77.21 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.754 1.621 . . . . 0.0 113.951 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.85 -25.0 37.32 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 119.781 -1.825 . . . . 0.0 113.019 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.37 -52.62 62.89 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 124.639 1.176 . . . . 0.0 111.218 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -72.41 -25.67 61.58 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 117.318 -1.325 . . . . 0.0 113.659 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 80.9 mtp -79.11 -54.85 5.58 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 123.66 2.936 . . . . 0.0 112.096 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -99.21 -56.48 2.41 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.217 1.407 . . . . 0.0 113.398 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.5 -26.61 66.43 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.633 -1.292 . . . . 0.0 112.96 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.35 38.56 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 117.077 1.591 . . . . 0.0 117.077 170.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.6 mt -106.15 128.88 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.585 2.193 . . . . 0.0 109.324 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.53 82.49 1.82 Allowed 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 120.79 -1.194 . . . . 0.0 112.49 -176.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -99.31 70.92 1.77 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.311 -1.493 . . . . 0.0 111.559 168.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.55 66.32 0.63 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 118.534 -2.604 . . . . 0.0 109.89 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 13.9 t -177.48 -179.69 0.86 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 125.596 1.559 . . . . 0.0 107.547 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -75.45 133.42 41.1 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 131.564 3.946 . . . . 0.0 111.8 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -128.86 156.81 43.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.865 0.84 . . . . 0.0 110.058 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 m -86.64 159.65 19.14 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.635 1.574 . . . . 0.0 109.022 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.67 -26.77 65.47 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.666 -1.897 . . . . 0.0 112.834 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.62 -55.94 27.68 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.43 1.892 . . . . 0.0 113.531 160.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.97 -43.88 94.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.161 2.184 . . . . 0.0 114.605 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 62.1 t -46.13 -50.23 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.753 1.221 . . . . 0.0 113.719 167.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -70.28 -36.51 70.57 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 120.803 -1.186 . . . . 0.0 113.912 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -79.01 -20.93 47.8 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 121.161 -1.199 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -77.02 -14.02 59.88 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.874 -1.766 . . . . 0.0 112.151 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.95 -67.35 0.61 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.053 1.741 . . . . 0.0 111.663 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -8.46 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 139.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.75 -64.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.743 0 C-N-CA 124.672 1.189 . . . . 0.0 112.382 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 9.5 m -41.85 -45.71 3.75 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 167.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -62.76 -45.12 94.18 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.224 -2.172 . . . . 0.0 112.143 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -50.01 -54.65 18.76 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.364 1.065 . . . . 0.0 111.874 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -56.5 -40.29 74.72 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.01 -39.04 80.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.952 -1.717 . . . . 0.0 110.718 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -74.86 -15.56 60.71 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.14 -2.225 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -79.16 -34.67 42.96 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.409 -1.432 . . . . 0.0 112.402 166.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.77 -46.65 79.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.641 -1.912 . . . . 0.0 112.835 167.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.252 2.221 . . . . 0.0 112.294 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.76 -47.43 20.76 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -79.35 -42.16 26.25 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.755 -0.59 . . . . 0.0 110.172 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.57 87.48 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.744 -1.222 . . . . 0.0 113.531 -177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.16 -5.56 45.02 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.957 1.703 . . . . 0.0 115.213 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -98.35 -34.81 10.53 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.976 1.71 . . . . 0.0 109.048 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.02 -36.97 67.08 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.247 -1.533 . . . . 0.0 114.198 171.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.0 tp -85.51 100.63 12.04 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.787 -1.196 . . . . 0.0 111.641 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -100.16 0.67 41.0 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 121.064 -1.023 . . . . 0.0 113.072 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -84.96 108.72 16.34 Favored Pre-proline 0 C--N 1.351 0.664 0 O-C-N 120.119 -1.613 . . . . 0.0 110.623 172.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo . . . . . 0 N--CA 1.457 -0.658 0 C-N-CA 122.182 1.922 . . . . 0.0 114.117 -158.023 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mttp . . . . . 0 CA--C 1.501 -0.935 0 CA-C-O 122.47 1.129 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -82.95 -31.72 27.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 120.913 -1.117 . . . . 0.0 109.087 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.01 -26.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 O-C-N 121.606 -0.684 . . . . 0.0 111.839 -167.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.5 -55.61 20.87 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 126.373 1.869 . . . . 0.0 112.624 168.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m -64.48 -43.19 94.93 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.758 1.623 . . . . 0.0 112.835 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -54.8 -53.14 35.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.703 1.601 . . . . 0.0 110.388 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -47.27 -40.39 16.59 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 126.988 2.115 . . . . 0.0 115.276 171.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.35 -58.18 5.86 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.815 -1.178 . . . . 0.0 110.166 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.41 -51.48 4.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 127.519 2.328 . . . . 0.0 113.13 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.84 -54.89 29.02 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 C-N-CA 124.945 1.298 . . . . 0.0 111.623 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.5 m -52.52 -49.6 64.49 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.149 1.379 . . . . 0.0 113.503 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -79.12 -17.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.851 1.31 . . . . 0.0 114.1 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.08 -16.25 30.06 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 119.751 -1.843 . . . . 0.0 111.148 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 t -74.42 -51.89 13.63 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.2 mt -30.68 -56.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 128.216 2.606 . . . . 0.0 114.831 162.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.62 -43.25 84.62 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.311 -1.493 . . . . 0.0 113.814 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.3 mm -61.46 -59.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 126.39 1.876 . . . . 0.0 109.533 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.49 -35.02 78.02 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.371 1.558 . . . . 0.0 112.01 -163.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -97.64 -59.54 1.75 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.712 1.605 . . . . 0.0 111.213 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -104.58 -6.53 20.44 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.753 -1.217 . . . . 0.0 113.354 -166.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 61.46 -140.7 0.49 Allowed 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -85.16 -8.42 58.61 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.365 -1.46 . . . . 0.0 112.646 -161.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -49.62 -62.04 1.78 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 129.017 2.927 . . . . 0.0 112.836 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -95.78 -27.72 4.05 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 120.15 -1.594 . . . . 0.0 112.084 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -54.96 -40.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 127.446 2.299 . . . . 0.0 114.986 167.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.71 -36.23 71.73 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.921 1.819 . . . . 0.0 113.106 173.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -79.88 99.41 7.54 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.341 -1.754 . . . . 0.0 108.929 -163.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -58.73 -42.71 89.4 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -172.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.25 -39.54 32.83 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 120.631 -1.293 . . . . 0.0 112.358 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.8 -42.71 72.14 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.909 1.284 . . . . 0.0 113.097 174.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -58.21 -57.88 10.92 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.04 1.736 . . . . 0.0 114.632 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 34' ' ' ILE . 61.8 mt -38.25 -63.55 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 129.665 3.186 . . . . 0.0 113.024 153.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -34.18 60.32 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 118.554 -2.591 . . . . 0.0 115.664 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CZ ' HG23 ' B' ' 587' ' ' ILE . 0.5 OUTLIER -64.02 -39.89 95.11 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 126.798 2.039 . . . . 0.0 112.58 177.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.03 -38.95 86.82 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.861 1.315 . . . . 0.0 112.34 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -74.23 -39.77 62.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 120.218 -1.551 . . . . 0.0 111.523 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -34.68 -58.57 0.5 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.765 2.426 . . . . 0.0 116.914 171.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.442 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -88.7 -13.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 121.507 0.67 . . . . 0.0 110.368 -178.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.81 66.41 2.06 Favored Glycine 0 CA--C 1.494 -1.224 0 O-C-N 120.681 -1.262 . . . . 0.0 114.194 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -80.48 113.03 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 160.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -121.42 -173.8 2.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.323 1.874 . . . . 0.0 110.158 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -166.83 126.79 1.53 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 102.834 -3.025 . . . . 0.0 102.834 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.47 55.2 mt-10 80.5 -12.2 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 CA-C-N 125.841 3.928 . . . . 0.0 114.235 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.63 12.7 68.83 Favored Glycine 0 C--N 1.349 1.251 0 C-N-CA 124.154 0.883 . . . . 0.0 111.008 -163.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -90.48 137.92 31.97 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 122.563 1.173 . . . . 0.0 111.742 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.38 143.77 38.44 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.731 1.213 . . . . 0.0 109.503 157.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.55 92.96 6.9 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.039 -1.663 . . . . 0.0 109.436 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -75.71 175.92 8.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.734 -1.229 . . . . 0.0 109.777 160.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -43.14 -44.01 4.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -55.11 -62.47 1.64 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.33 1.852 . . . . 0.0 113.758 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -64.68 -35.72 81.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 O-C-N 121.019 -1.051 . . . . 0.0 112.692 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.96 -46.93 88.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.998 0.919 . . . . 0.0 112.688 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.71 -36.38 65.22 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.335 -1.478 . . . . 0.0 110.505 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -58.59 -46.09 87.7 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.541 1.536 . . . . 0.0 114.843 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.75 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 O-C-N 120.774 -1.204 . . . . 0.0 113.743 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.0 t -60.74 -42.6 92.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 126.682 1.993 . . . . 0.0 113.624 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.3 t -57.85 -52.92 63.51 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 119.726 -1.859 . . . . 0.0 114.393 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -87.47 8.17 26.01 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.806 1.184 . . . . 0.0 113.456 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 66' ' ' LYS . 2.0 tt -57.74 129.45 41.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.078 -1.639 . . . . 0.0 113.211 171.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -68.73 142.57 54.95 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 126.231 1.812 . . . . 0.0 113.288 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.51 -53.94 49.75 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.628 1.171 . . . . 0.0 112.578 -168.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -58.21 -37.88 75.68 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -78.56 -39.3 38.13 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.495 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.544 ' HB3' HD22 ' A' ' 61' ' ' LEU 0.266 4.6 pttm -62.28 -35.46 79.08 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 123.009 2.64 . . . . 0.0 112.838 173.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.65 -45.01 72.9 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 122.236 1.017 . . . . 0.0 109.938 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.9 m -54.91 -38.12 67.23 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.828 2.051 . . . . 0.0 115.014 170.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.79 -42.04 97.82 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.701 -1.874 . . . . 0.0 111.375 172.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.34 -59.28 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.591 1.156 . . . . 0.0 112.379 167.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.62 -12.24 43.59 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 126.424 1.889 . . . . 0.0 114.71 -175.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.5 -61.54 2.42 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.937 -1.102 . . . . 0.0 111.91 162.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.325 0.0 OUTLIER 143.92 -19.29 0.0 OUTLIER 'General case' 0 C--N 1.361 1.069 0 C-N-CA 128.876 2.87 . . . . 0.0 114.624 172.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.49 127.58 28.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 -163.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.87 -27.43 68.79 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.33 1.852 . . . . 0.0 113.301 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.92 -18.28 59.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.385 -1.447 . . . . 0.0 111.046 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -72.6 -60.4 2.25 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 121.366 -1.079 . . . . 0.0 108.964 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -59.38 -31.84 69.59 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.121 -0.987 . . . . 0.0 113.516 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.0 -61.26 5.87 Favored Glycine 0 C--N 1.351 1.41 0 C-N-CA 125.609 1.576 . . . . 0.0 114.349 167.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.68 -41.0 71.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 CA-C-N 120.699 2.25 . . . . 0.0 111.74 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.06 -65.37 0.3 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.92 1.688 . . . . 0.0 114.25 166.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -63.71 -35.63 81.19 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -81.32 -30.76 33.77 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.413 -1.43 . . . . 0.0 112.146 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.7 tp -56.17 -50.16 71.96 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.382 1.473 . . . . 0.0 112.695 171.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -56.64 -48.19 78.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.064 1.346 . . . . 0.0 112.516 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 46.6 ttp -69.91 -58.05 4.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.022 1.329 . . . . 0.0 113.209 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -77.1 -38.17 52.8 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.542 -1.349 . . . . 0.0 114.485 -173.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.7 p -90.53 125.06 35.49 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.21 -1.556 . . . . 0.0 113.411 -168.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -104.9 164.69 11.6 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 167.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.452 -0.37 0 O-C-N 119.789 -1.819 . . . . 0.0 112.671 177.384 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 29.5 t -76.76 -35.29 24.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 112.71 168.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 28.6 tp -69.03 -65.54 0.69 Allowed 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.617 -1.302 . . . . 0.0 112.435 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -31.8 -59.14 0.27 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 149.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 80.08 42.62 10.6 Favored Glycine 0 C--N 1.346 1.084 0 C-N-CA 126.085 1.803 . . . . 0.0 112.254 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.8 pp -127.45 157.59 39.63 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.955 2.378 . . . . 0.0 104.698 -168.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.8 m -87.49 146.62 25.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.895 0.855 . . . . 0.0 111.211 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.8 57.74 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.359 -2.088 . . . . 0.0 114.058 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -69.05 -29.38 67.51 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.818 -1.176 . . . . 0.0 113.392 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.92 -42.85 69.34 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.398 1.479 . . . . 0.0 110.16 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.03 89.57 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.597 1.159 . . . . 0.0 112.266 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -49.94 -67.49 0.26 Allowed 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.931 1.292 . . . . 0.0 114.054 166.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.0 p -68.03 -22.58 27.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.146 0 O-C-N 119.941 -1.725 . . . . 0.0 114.598 -173.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.68 -51.99 67.02 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 125.497 1.519 . . . . 0.0 110.591 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -77.03 -20.86 55.41 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 74.2 mtm -75.18 -56.64 4.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 123.348 2.794 . . . . 0.0 114.419 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -104.21 -47.45 4.14 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.564 -1.335 . . . . 0.0 114.278 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -70.07 -26.5 64.03 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.835 -1.165 . . . . 0.0 111.927 -173.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.14 35.21 39.03 Favored Glycine 0 CA--C 1.496 -1.094 0 C-N-CA 125.037 1.303 . . . . 0.0 113.143 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -117.36 124.92 73.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 171.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.3 111.97 20.37 Favored 'General case' 0 N--CA 1.443 -0.801 0 O-C-N 120.7 -1.25 . . . . 0.0 113.036 -170.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 51.0 mtt -115.52 55.3 0.78 Allowed 'General case' 0 C--N 1.368 1.37 0 CA-C-N 120.118 1.326 . . . . 0.0 109.05 168.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -113.34 -39.39 4.14 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -165.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 74.7 p -74.53 -122.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 123.899 1.809 . . . . 0.0 115.538 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -110.45 117.14 32.77 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 129.062 2.945 . . . . 0.0 104.633 171.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.3 150.08 40.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -169.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.1 p -117.08 172.86 7.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.307 1.443 . . . . 0.0 110.234 -174.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.6 pp -45.12 -40.85 7.34 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 157.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -74.76 -50.62 16.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.591 1.556 . . . . 0.0 111.126 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . 0.334 5.5 mt-10 -63.93 -37.18 86.46 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 34.2 m -54.94 -44.12 71.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 122.385 2.357 . . . . 0.0 113.283 169.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.49 -38.58 96.57 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 124.581 1.086 . . . . 0.0 112.753 176.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -71.6 -37.99 70.92 Favored 'General case' 0 C--N 1.369 1.431 0 CA-C-O 123.037 1.399 . . . . 0.0 107.722 -172.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -72.46 -27.19 62.15 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.836 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -54.81 42.58 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.07 1.304 . . . . 0.0 112.919 168.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -60.66 2.61 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 116.932 2.197 . . . . 0.0 116.932 163.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.58 -61.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 126.275 1.83 . . . . 0.0 112.989 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.44 -36.46 6.58 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 118.221 2.674 . . . . 0.0 118.221 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -70.04 -38.68 75.91 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 121.112 1.778 . . . . 0.0 110.058 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -62.56 -49.2 76.23 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.648 -1.16 . . . . 0.0 113.346 171.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -63.18 -32.65 74.1 Favored 'General case' 0 C--N 1.361 1.096 0 O-C-N 120.305 -1.497 . . . . 0.0 112.017 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . 0.407 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 10.1 mt -58.99 -42.1 85.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 O-C-N 119.523 -1.986 . . . . 0.0 111.302 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -73.13 -17.78 61.36 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 123.034 2.652 . . . . 0.0 111.08 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.89 -42.72 60.28 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.102 -1.624 . . . . 0.0 111.886 168.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.99 -49.64 37.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 C-N-CA 125.268 1.427 . . . . 0.0 113.072 163.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.48 -51.83 65.66 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 125.558 1.543 . . . . 0.0 112.346 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.83 20.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.711 1.604 . . . . 0.0 114.727 170.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -76.16 -19.15 58.73 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.095 -1.628 . . . . 0.0 112.312 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -82.44 -38.71 23.61 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.167 1.387 . . . . 0.0 110.629 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.55 -9.42 58.66 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.124 -1.61 . . . . 0.0 114.439 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.5 mtm105 -88.26 -24.29 23.26 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.192 -1.568 . . . . 0.0 110.395 167.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -77.94 -40.93 37.99 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.051 -1.656 . . . . 0.0 113.964 165.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.2 tp -82.56 72.17 9.63 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-O 123.38 1.562 . . . . 0.0 110.984 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -67.3 -41.77 84.83 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 125.595 1.558 . . . . 0.0 113.174 170.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -47.71 108.71 0.95 Allowed Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 114.833 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 CA-C-N 121.642 1.622 . . . . 0.0 112.893 -162.589 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 tttp . . . . . 0 N--CA 1.438 -1.064 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -60.46 -30.94 69.99 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.844 -1.785 . . . . 0.0 112.117 173.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.18 -37.79 80.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 124.183 0.993 . . . . 0.0 111.135 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.573 1.149 . . . . 0.0 112.996 173.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -64.25 -43.16 95.75 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.901 -1.75 . . . . 0.0 110.751 170.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.61 -50.91 77.4 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 125.135 1.374 . . . . 0.0 111.1 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -49.2 -41.04 35.67 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 126.387 1.875 . . . . 0.0 114.834 169.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -65.07 -51.19 62.88 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 120.992 -1.067 . . . . 0.0 111.638 171.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -48.08 -47.16 13.11 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 124.655 1.182 . . . . 0.0 113.265 171.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.04 -55.14 23.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 120.939 -1.101 . . . . 0.0 109.762 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.1 m -53.68 -51.64 62.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 126.281 1.832 . . . . 0.0 112.973 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -77.07 -27.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 O-C-N 120.546 -1.346 . . . . 0.0 111.586 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.52 69.94 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 119.137 -2.227 . . . . 0.0 111.457 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -67.65 -32.94 73.96 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 125.37 2.509 . . . . 0.0 108.962 -169.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.86 -57.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 130.923 3.689 . . . . 0.0 110.774 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.96 -47.54 74.37 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 123.388 1.566 . . . . 0.0 113.187 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.46 -64.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.795 0 C-N-CA 126.498 1.919 . . . . 0.0 112.474 175.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.36 -19.48 59.55 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 118.075 -2.89 . . . . 0.0 114.301 -164.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -88.58 -52.11 5.34 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.662 0.785 . . . . 0.0 111.61 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -101.11 16.52 25.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 120.14 -1.6 . . . . 0.0 109.619 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.297 2.4 ttm180 46.29 -105.75 0.12 Allowed 'General case' 0 C--N 1.362 1.12 0 CA-C-N 120.439 1.472 . . . . 0.0 113.797 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.94 -4.08 9.63 Favored 'General case' 0 N--CA 1.42 -1.934 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -172.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -60.03 -43.59 95.22 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -166.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 pt -92.95 -22.55 5.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 O-C-N 118.22 -2.8 . . . . 0.0 112.105 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.0 -43.37 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 C-N-CA 127.413 2.285 . . . . 0.0 114.082 -163.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -46.38 -55.24 7.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 131.69 3.996 . . . . 0.0 113.992 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -65.22 102.76 0.69 Allowed 'General case' 0 C--N 1.354 0.773 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.958 -170.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -61.26 -47.46 85.95 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.058 -1.651 . . . . 0.0 115.251 -163.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.57 74.33 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.238 -1.539 . . . . 0.0 113.448 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.13 72.46 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.485 -1.384 . . . . 0.0 113.071 171.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.88 -54.03 47.62 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.089 -1.632 . . . . 0.0 113.833 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 34' ' ' ILE . 19.9 mt -40.72 -62.25 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 130.44 3.496 . . . . 0.0 113.61 156.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.78 69.1 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 119.212 -2.18 . . . . 0.0 116.023 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.35 -35.51 79.52 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 123.766 0.827 . . . . 0.0 110.939 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.23 -41.43 90.09 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.849 -1.157 . . . . 0.0 111.288 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -69.08 -51.99 33.02 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.298 -1.501 . . . . 0.0 110.65 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 40' ' ' ILE . 9.6 tp10 -25.98 -55.0 0.06 Allowed 'General case' 0 C--N 1.349 0.573 0 C-N-CA 129.511 3.124 . . . . 0.0 118.371 169.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.445 HG23 ' HG3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 -3.94 10.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 120.441 -1.412 . . . . 0.0 113.177 179.688 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 57.86 2.26 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 120.406 -1.434 . . . . 0.0 114.446 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -99.42 100.63 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 48' ' ' LYS . 17.9 p -125.81 -166.84 1.61 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.755 1.264 . . . . 0.0 108.991 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -173.9 129.9 0.4 Allowed 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 173.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.447 45.5 mt-10 63.3 13.98 7.45 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.122 -2.236 . . . . 0.0 115.371 -169.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.86 -38.71 3.0 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -61.07 107.91 0.8 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.894 0.878 . . . . 0.0 112.897 -171.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HA ' HG22 ' A' ' 43' ' ' THR . 0.0 OUTLIER -66.35 146.18 54.87 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 119.36 -2.087 . . . . 0.0 110.103 171.255 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.05 86.6 3.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 120.122 -1.611 . . . . 0.0 114.512 -158.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -75.9 168.99 19.01 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.535 1.134 . . . . 0.0 107.975 166.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.96 -24.44 66.8 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 120.567 -1.333 . . . . 0.0 114.188 -164.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -61.04 -58.03 10.12 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.521 -1.362 . . . . 0.0 112.936 165.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -67.54 -36.06 80.26 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 128.117 2.567 . . . . 0.0 112.881 -172.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -59.43 -49.88 76.09 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.535 1.134 . . . . 0.0 112.483 171.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -79.23 -30.65 43.32 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.221 -1.549 . . . . 0.0 113.59 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -50.29 -33.98 21.85 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.389 1.075 . . . . 0.0 113.78 166.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 28.9 pt -87.34 -62.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 116.563 -1.684 . . . . 0.0 113.605 165.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.86 -25.08 21.72 Favored 'Isoleucine or valine' 0 C--N 1.382 2.012 0 CA-C-N 123.288 2.767 . . . . 0.0 111.329 -150.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -91.82 -21.04 20.87 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.085 -1.009 . . . . 0.0 112.602 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.1 77.13 5.35 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 124.043 1.878 . . . . 0.0 108.97 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.2 mt -115.78 142.38 46.84 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 126.908 2.083 . . . . 0.0 106.613 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -82.97 160.91 21.93 Favored 'General case' 0 C--N 1.342 0.273 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -77.05 -37.78 54.05 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.39 -2.069 . . . . 0.0 113.25 -167.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.26 -53.74 52.28 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 126.04 1.736 . . . . 0.0 113.593 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -46.12 -63.16 1.05 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 129.387 3.075 . . . . 0.0 115.513 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -51.1 -47.54 61.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 128.338 2.655 . . . . 0.0 114.28 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.12 -38.04 87.19 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 124.322 2.011 . . . . 0.0 107.879 -170.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -59.9 -44.75 94.07 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.956 2.103 . . . . 0.0 112.951 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.86 -32.11 72.43 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.86 -1.775 . . . . 0.0 113.622 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.64 -54.36 26.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.574 1.55 . . . . 0.0 111.024 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -39.14 68.04 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.031 1.732 . . . . 0.0 115.013 172.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.17 -50.76 13.7 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.816 -1.178 . . . . 0.0 113.683 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -116.73 74.93 0.93 Allowed 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.535 -1.353 . . . . 0.0 110.587 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -64.42 -45.84 85.82 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 120.205 -1.559 . . . . 0.0 113.188 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.91 -22.35 24.43 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.521 -0.737 . . . . 0.0 111.578 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.13 -33.65 14.31 Favored Glycine 0 C--N 1.357 1.714 0 O-C-N 119.614 -1.929 . . . . 0.0 113.202 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.63 -48.09 61.16 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.957 -1.319 . . . . 0.0 109.981 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.58 -43.49 84.61 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.995 1.318 . . . . 0.0 114.056 168.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.87 60.6 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 125.89 1.71 . . . . 0.0 114.554 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.48 -53.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 124.826 1.25 . . . . 0.0 113.024 173.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -28.85 -63.08 0.11 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.321 2.249 . . . . 0.0 115.654 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -57.38 -38.21 73.87 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.282 1.7 p90 -80.43 -31.25 37.61 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.844 -1.785 . . . . 0.0 112.137 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.29 -55.13 31.23 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.85 -1.156 . . . . 0.0 112.156 173.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.27 -37.66 83.94 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.584 1.154 . . . . 0.0 113.528 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.0 -63.6 1.07 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.215 1.006 . . . . 0.0 113.546 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.45 -32.88 28.74 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.756 -1.215 . . . . 0.0 113.807 -169.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 p -98.82 87.37 3.73 Favored 'General case' 0 CA--C 1.504 -0.793 0 O-C-N 120.713 -1.242 . . . . 0.0 112.197 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.77 124.5 30.96 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -169.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm . . . . . 0 C--N 1.364 1.236 0 C-N-CA 128.097 2.559 . . . . 0.0 109.658 170.448 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.261 2.1 p30 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.22 -45.74 13.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 168.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.57 -50.03 73.13 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.099 -1.626 . . . . 0.0 114.071 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -73.13 -37.02 66.8 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.014 -1.054 . . . . 0.0 113.114 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.77 -18.93 7.07 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 120.248 -1.533 . . . . 0.0 113.417 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.12 134.72 41.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.601 1.56 . . . . 0.0 111.833 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 7.6 p -88.91 178.22 6.48 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 124.077 1.894 . . . . 0.0 115.729 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -46.69 -23.33 0.4 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.35 2.26 . . . . 0.0 116.805 156.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -71.17 -54.2 11.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.898 1.809 . . . . 0.0 111.295 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -54.3 -45.79 72.63 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.927 2.091 . . . . 0.0 113.273 172.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.3 -28.11 69.79 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.284 1.034 . . . . 0.0 113.255 174.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -70.43 -44.88 66.98 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.009 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.12 -47.29 93.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 CA-C-O 122.706 1.241 . . . . 0.0 111.682 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 69.2 mt -53.48 -36.0 61.2 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.875 2.07 . . . . 0.0 113.729 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 32.1 tpt85 -66.39 -39.49 89.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 125.339 2.495 . . . . 0.0 111.527 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.8 mtt -101.6 -62.75 1.22 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 111.122 -2.763 . . . . 0.0 112.005 -162.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -81.85 -46.15 14.54 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.085 0.945 . . . . 0.0 110.307 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.31 -31.31 63.95 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.2 47.14 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 125.218 1.389 . . . . 0.0 113.487 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 97.4 mt -107.7 132.05 56.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 119.071 1.435 . . . . 0.0 107.901 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -80.11 99.9 7.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.964 1.306 . . . . 0.0 112.74 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.6 mtp -113.61 38.85 2.8 Favored 'General case' 0 C--N 1.369 1.446 0 O-C-N 119.965 -1.709 . . . . 0.0 110.463 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -107.82 -10.86 15.49 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.981 1.312 . . . . 0.0 112.127 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 57.4 p -84.85 -175.02 5.59 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 123.129 1.442 . . . . 0.0 111.887 172.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.12 125.73 24.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.242 2.217 . . . . 0.0 112.035 160.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -119.16 118.47 31.45 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.656 1.183 . . . . 0.0 107.915 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 67.3 p -79.8 169.34 18.07 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.783 167.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.52 -26.55 58.16 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.154 -1.591 . . . . 0.0 112.27 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.44 -35.6 73.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.158 -1.589 . . . . 0.0 111.885 166.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.75 -39.03 84.22 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 119.386 -2.071 . . . . 0.0 114.209 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.23 -53.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.671 -1.268 . . . . 0.0 112.29 161.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.75 73.43 Favored Glycine 0 C--N 1.353 1.527 0 C-N-CA 125.205 1.383 . . . . 0.0 115.406 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -67.45 -38.22 84.16 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.219 -1.754 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -69.43 -19.33 63.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.736 -1.227 . . . . 0.0 112.19 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.12 -53.48 37.33 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.669 -1.27 . . . . 0.0 110.945 170.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.49 -26.55 60.08 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.193 -1.567 . . . . 0.0 112.695 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.08 -50.96 33.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 123.799 0.84 . . . . 0.0 112.141 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . 0.256 1.5 t -57.59 -36.01 71.15 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 118.753 -2.467 . . . . 0.0 116.184 167.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -59.93 -45.8 91.43 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.78 -1.825 . . . . 0.0 112.022 169.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -50.38 -55.1 17.17 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.817 1.247 . . . . 0.0 113.709 165.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -51.31 -42.52 61.24 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.054 -1.029 . . . . 0.0 113.427 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.1 -38.76 76.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 121.175 1.807 . . . . 0.0 112.858 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -69.32 -25.59 64.29 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.852 -1.78 . . . . 0.0 110.904 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -78.23 -14.29 59.5 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 119.839 -1.788 . . . . 0.0 111.795 170.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.0 mt -76.28 -40.46 35.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 O-C-N 118.515 -2.616 . . . . 0.0 107.496 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.74 -39.97 90.66 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 126.698 1.999 . . . . 0.0 110.936 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -37.26 -52.4 1.06 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 166.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -87.08 -31.96 20.2 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.339 1.543 . . . . 0.0 111.055 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.86 80.09 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.002 -1.061 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -77.98 12.28 1.86 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 163.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -97.89 -43.58 7.05 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 119.778 -1.826 . . . . 0.0 106.667 160.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -65.27 -47.28 77.23 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.369 -1.457 . . . . 0.0 114.094 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 16.2 tp -85.89 99.1 11.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.216 -0.928 . . . . 0.0 109.657 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -80.28 -26.78 38.74 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.238 1.415 . . . . 0.0 111.724 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -54.92 146.44 37.83 Favored Pre-proline 0 C--N 1.355 0.807 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo . . . . . 0 N--CA 1.462 -0.351 0 C-N-CA 122.29 1.994 . . . . 0.0 114.592 179.206 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -60.3 -23.31 64.09 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.523 -1.986 . . . . 0.0 114.302 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.98 -36.57 51.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 120.791 -1.193 . . . . 0.0 111.471 -171.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.61 -49.74 45.62 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 127.142 2.177 . . . . 0.0 115.212 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -71.28 -39.49 71.51 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.607 -1.308 . . . . 0.0 111.256 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -57.38 -52.43 56.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.009 -1.057 . . . . 0.0 112.041 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -53.1 -39.35 63.34 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.977 -1.702 . . . . 0.0 114.481 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -61.56 -55.06 35.05 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 125.303 1.441 . . . . 0.0 112.164 172.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.01 -49.51 15.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 C-N-CA 127.296 2.238 . . . . 0.0 113.736 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.75 -51.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.584 1.154 . . . . 0.0 110.896 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.2 m -56.75 -51.52 68.56 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.751 1.22 . . . . 0.0 113.019 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.04 -22.56 15.82 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.656 -1.278 . . . . 0.0 112.452 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.75 60.2 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 119.781 -1.825 . . . . 0.0 112.387 167.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 m -80.77 -49.84 10.62 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mt -32.67 -52.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 130.151 3.38 . . . . 0.0 114.777 162.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.37 -45.04 80.68 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 122.741 1.257 . . . . 0.0 113.151 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.4 mm -68.66 -57.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 125.799 1.64 . . . . 0.0 109.297 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -73.74 -40.05 63.81 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.224 -2.173 . . . . 0.0 111.702 -160.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -73.75 -52.55 12.82 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.577 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -110.89 -27.81 8.65 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.35 -1.469 . . . . 0.0 113.98 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.492 28.8 mmt180 87.92 -115.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.999 2.519 . . . . 0.0 113.987 -174.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -99.05 17.27 20.16 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.714 -1.241 . . . . 0.0 114.17 -167.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -71.45 -63.64 1.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -79.82 -32.94 14.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.259 -1.526 . . . . 0.0 108.63 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.43 -47.44 58.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.695 1.598 . . . . 0.0 113.512 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.8 -58.61 7.37 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -73.58 118.62 16.76 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.844 -164.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -69.4 -41.12 76.84 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.777 -1.202 . . . . 0.0 114.07 -163.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.88 70.22 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.709 0.804 . . . . 0.0 110.992 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.99 -33.26 70.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.933 1.693 . . . . 0.0 114.761 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -68.02 -61.75 1.72 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.717 1.207 . . . . 0.0 112.922 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.43 ' H ' HG13 ' A' ' 34' ' ' ILE . 31.6 mt -35.01 -61.01 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 129.551 3.14 . . . . 0.0 114.147 148.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.38 51.27 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 118.386 -2.696 . . . . 0.0 115.935 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -41.05 68.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 126.014 1.726 . . . . 0.0 110.879 -178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.0 mt -64.18 -48.84 74.4 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-O 121.682 0.753 . . . . 0.0 110.557 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.27 -53.33 58.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.439 1.496 . . . . 0.0 114.07 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -43.06 -51.72 5.65 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 118.218 2.673 . . . . 0.0 118.218 167.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.97 -5.18 9.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 120.196 -1.565 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.65 48.72 7.04 Favored Glycine 0 CA--C 1.495 -1.17 0 O-C-N 121.06 -1.025 . . . . 0.0 113.683 170.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -80.12 118.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 165.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 48' ' ' LYS . 51.4 p -153.3 130.74 11.36 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 123.536 0.734 . . . . 0.0 110.884 -173.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -111.91 143.36 43.0 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.63 -1.294 . . . . 0.0 110.988 170.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 54.42 22.22 3.71 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.045 1.738 . . . . 0.0 114.909 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.3 -7.48 75.52 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 119.7 -1.875 . . . . 0.0 114.917 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -101.86 135.69 42.98 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 118.378 1.089 . . . . 0.0 110.23 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HA ' HG22 ' A' ' 43' ' ' THR . 21.0 pttp -77.08 128.43 34.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 120.563 -1.336 . . . . 0.0 110.239 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.328 0.7 OUTLIER -79.12 98.27 6.48 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 119.33 -2.106 . . . . 0.0 116.145 -172.001 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -71.33 179.4 2.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.729 153.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -57.79 -35.8 71.3 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.18 -55.83 27.68 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.837 -1.165 . . . . 0.0 113.651 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.3 t -63.63 -43.54 96.52 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.968 0.907 . . . . 0.0 112.56 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.77 -52.0 61.61 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 125.82 1.648 . . . . 0.0 113.854 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -77.36 -33.46 55.29 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.625 -1.297 . . . . 0.0 113.112 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -59.64 -50.7 72.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.354 1.461 . . . . 0.0 113.338 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -36.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.765 -1.209 . . . . 0.0 112.48 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.4 t -79.44 -16.58 13.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.491 0 O-C-N 119.193 -2.192 . . . . 0.0 109.532 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.8 t -80.95 -26.21 36.81 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 126.853 2.061 . . . . 0.0 113.165 170.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -54.57 -23.87 18.61 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 120.913 3.671 . . . . 0.0 120.913 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.36 160.46 26.7 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -174.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 p -81.97 -178.22 6.92 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.202 -1.561 . . . . 0.0 113.333 -175.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.22 -51.04 61.52 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.971 1.308 . . . . 0.0 112.65 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.53 -42.7 97.02 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 124.057 0.943 . . . . 0.0 112.8 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.257 18.3 m-20 -51.2 -59.87 3.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 123.261 1.505 . . . . 0.0 114.416 173.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.5 -40.39 96.96 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.38 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -66.95 -39.73 87.35 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 123.52 0.728 . . . . 0.0 109.802 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -54.65 -48.08 72.74 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.08 0.855 . . . . 0.0 113.154 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.58 -49.0 70.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.089 -1.007 . . . . 0.0 113.193 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.5 mt -46.31 -56.06 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.042 1.737 . . . . 0.0 111.682 166.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -40.57 96.7 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 120.932 -1.105 . . . . 0.0 113.632 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.34 -52.18 36.17 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.964 0.906 . . . . 0.0 112.427 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.55 92.02 3.53 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.855 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -74.28 -47.03 37.53 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.289 1.036 . . . . 0.0 111.438 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -68.52 -37.02 79.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.709 -1.244 . . . . 0.0 111.483 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.76 -64.51 4.24 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 125.132 1.349 . . . . 0.0 114.978 171.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -71.1 -58.19 3.8 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.871 -1.37 . . . . 0.0 112.322 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -68.6 -27.55 66.14 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 121.565 -0.71 . . . . 0.0 112.852 -172.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.54 51.81 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 121.869 -0.519 . . . . 0.0 112.867 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -72.24 -47.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.076 -1.838 . . . . 0.0 113.138 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -26.58 -66.59 0.06 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 155.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.3 ttm105 -68.34 -44.88 74.33 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.931 0.892 . . . . 0.0 113.221 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.365 0.2 OUTLIER -69.55 -41.79 75.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.509 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.03 -41.35 83.02 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.826 -1.171 . . . . 0.0 112.746 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -74.72 -31.28 61.79 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.03 -30.35 18.78 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -73.78 -13.11 60.89 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.265 -1.522 . . . . 0.0 113.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -89.08 114.75 26.02 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.269 -1.52 . . . . 0.0 111.314 168.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -92.32 107.74 19.44 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 122.199 0.999 . . . . 0.0 110.988 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--N 1.353 0.73 0 C-N-CA 128.776 2.831 . . . . 0.0 117.05 166.799 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.975 0.416 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.52 -34.12 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 120.358 -1.464 . . . . 0.0 112.906 170.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 78.1 mt -75.43 -52.92 9.6 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.209 -1.557 . . . . 0.0 114.772 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -30.29 -58.38 0.19 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 117.644 2.461 . . . . 0.0 117.644 144.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 84.61 59.58 1.99 Allowed Glycine 0 CA--C 1.487 -1.702 0 C-N-CA 127.304 2.383 . . . . 0.0 111.245 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.02 148.55 45.23 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-N 121.154 2.477 . . . . 0.0 104.653 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 5.9 m -76.63 152.85 35.71 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.24 -0.913 . . . . 0.0 111.131 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.95 -33.5 62.37 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 118.86 -2.4 . . . . 0.0 114.331 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -63.47 -33.83 76.44 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.556 -1.34 . . . . 0.0 112.645 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.34 -41.58 66.32 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 125.554 1.541 . . . . 0.0 109.949 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.31 99.09 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.215 -0.928 . . . . 0.0 111.891 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -48.45 -61.59 1.93 Allowed 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.887 1.675 . . . . 0.0 115.467 168.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.51 -25.93 34.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 O-C-N 119.399 -2.063 . . . . 0.0 115.029 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.62 -49.11 64.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 110.373 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -72.1 -8.66 55.89 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 171.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.2 mtm -91.84 -65.66 0.99 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.642 -1.911 . . . . 0.0 111.534 171.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -94.64 -40.66 9.7 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.402 1.081 . . . . 0.0 112.996 -167.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -78.52 -21.99 48.02 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.879 -1.138 . . . . 0.0 111.246 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.11 16.71 57.29 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.43 1.014 . . . . 0.0 114.164 173.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 76.8 mt -102.4 121.53 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -80.85 126.0 30.8 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 120.779 -1.201 . . . . 0.0 109.296 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 15.5 ptp -142.01 52.57 1.48 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.038 0.923 . . . . 0.0 109.802 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -107.5 -20.9 13.1 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 122.277 1.037 . . . . 0.0 110.871 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 1.2 t -91.32 169.78 10.52 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.266 1.826 . . . . 0.0 109.815 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.49 113.29 1.54 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.381 2.272 . . . . 0.0 115.444 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -118.47 80.79 1.58 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.715 1.721 . . . . 0.0 108.997 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -72.41 161.37 30.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 120.654 -1.278 . . . . 0.0 111.384 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.09 -28.56 58.19 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -167.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -70.55 -41.16 72.85 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 119.517 -1.989 . . . . 0.0 111.575 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -69.9 -34.93 74.17 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 128.911 2.884 . . . . 0.0 112.133 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.38 -44.75 84.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.286 -1.509 . . . . 0.0 112.698 169.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -57.99 -48.75 80.62 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 121.103 -0.998 . . . . 0.0 114.038 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -51.92 -48.48 64.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.318 2.247 . . . . 0.0 115.662 163.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -23.86 62.34 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 118.266 -2.771 . . . . 0.0 113.699 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -53.35 14.55 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.481 1.112 . . . . 0.0 113.276 175.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -39.15 -58.8 1.1 Allowed 'General case' 0 C--N 1.349 0.557 0 C-N-CA 126.66 1.984 . . . . 0.0 115.762 159.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.69 -47.81 84.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 C-N-CA 124.406 1.082 . . . . 0.0 111.91 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 29.1 m -49.61 -43.92 46.83 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 167.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -67.34 -42.86 82.85 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 119.886 -1.759 . . . . 0.0 110.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -52.21 -53.43 43.55 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.956 1.302 . . . . 0.0 110.678 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -57.59 -43.52 84.68 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 120.857 1.662 . . . . 0.0 111.088 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -58.48 -47.93 86.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 120.616 -1.303 . . . . 0.0 114.024 172.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -72.6 -22.37 60.98 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-N 123.742 2.974 . . . . 0.0 110.488 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -68.43 -40.01 81.32 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 119.998 -1.689 . . . . 0.0 114.162 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 98.6 mt -58.88 -50.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.649 -1.282 . . . . 0.0 113.529 165.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.81 -48.8 72.32 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.523 1.929 . . . . 0.0 112.399 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.35 17.68 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.077 1.751 . . . . 0.0 114.391 167.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -73.02 -34.12 66.15 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.826 -1.171 . . . . 0.0 111.943 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.47 78.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.622 1.169 . . . . 0.0 111.636 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.14 -6.31 41.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -92.91 -33.66 14.11 Favored 'General case' 0 C--N 1.345 0.37 0 O-C-N 120.103 -1.623 . . . . 0.0 109.719 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.14 -24.61 62.3 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.759 -1.838 . . . . 0.0 112.284 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.84 125.37 23.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.634 -1.292 . . . . 0.0 114.485 162.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -103.47 -48.23 4.04 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 120.173 -1.579 . . . . 0.0 110.408 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -86.9 103.97 5.18 Favored Pre-proline 0 N--CA 1.444 -0.753 0 CA-C-O 117.308 -1.33 . . . . 0.0 109.326 172.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 CA-C-N 124.226 2.545 . . . . 0.0 110.426 178.724 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -84.91 153.43 22.86 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 118.768 -2.458 . . . . 0.0 116.301 -154.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -52.35 58.67 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 114.953 -1.022 . . . . 0.0 112.619 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -69.91 -35.65 65.59 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 O-C-N 121.579 -0.701 . . . . 0.0 112.53 -174.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -56.83 -43.73 81.34 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 119.952 -1.717 . . . . 0.0 111.925 170.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.1 m -65.11 -47.9 75.56 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 124.129 0.972 . . . . 0.0 111.987 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -53.79 -50.74 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 111.706 171.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -50.58 -48.83 57.53 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.3 1.44 . . . . 0.0 114.504 170.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -52.25 -61.83 2.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.761 1.624 . . . . 0.0 113.487 169.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.9 mt -48.71 -49.19 14.75 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 C-N-CA 126.363 1.865 . . . . 0.0 114.626 176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.26 17.9 pt -64.4 -39.31 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 C-N-CA 123.289 0.635 . . . . 0.0 112.612 175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.3 m -61.58 -52.07 65.95 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.943 -1.098 . . . . 0.0 111.458 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.5 t -69.0 -31.12 49.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 C-N-CA 124.721 1.208 . . . . 0.0 112.177 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.94 -25.28 48.18 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 119.867 -1.77 . . . . 0.0 114.139 173.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 m -70.37 -45.68 65.58 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 124.555 2.122 . . . . 0.0 109.281 -171.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.5 mt -30.18 -64.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 129.545 3.138 . . . . 0.0 115.141 152.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -49.78 -55.5 13.82 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.597 -1.315 . . . . 0.0 113.981 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 mm -48.62 -49.46 14.08 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 C-N-CA 129.505 3.122 . . . . 0.0 113.739 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HZ1' ' CD ' ' B' ' 555' ' ' GLU . 19.9 pttt -96.94 -24.42 15.84 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 119.883 -1.761 . . . . 0.0 115.686 -176.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -76.44 -65.73 0.89 Allowed 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.781 -1.2 . . . . 0.0 111.734 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -102.87 -17.53 15.49 Favored 'General case' 0 CA--C 1.511 -0.546 0 O-C-N 120.752 -1.217 . . . . 0.0 110.973 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.42 8.8 mtm180 72.81 -140.05 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 166.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -81.5 -9.59 59.67 Favored 'General case' 0 CA--C 1.509 -0.632 0 O-C-N 120.208 -1.558 . . . . 0.0 112.229 -162.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -65.39 0.58 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 127.371 2.268 . . . . 0.0 113.035 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 30.7 pt -89.57 -28.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-O 121.785 0.803 . . . . 0.0 112.513 -170.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.3 t -53.12 -46.13 54.76 Favored 'Isoleucine or valine' 0 C--N 1.345 0.377 0 C-N-CA 127.507 2.323 . . . . 0.0 113.275 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -42.77 -66.0 0.41 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 127.128 2.171 . . . . 0.0 113.924 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 108.39 4.47 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -163.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -40.68 -49.9 3.05 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.577 1.951 . . . . 0.0 115.924 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.61 77.49 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -58.02 -48.12 80.99 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 126.306 1.842 . . . . 0.0 111.569 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -52.61 -53.0 52.72 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.495 -1.378 . . . . 0.0 113.57 175.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.8 mt -75.06 -32.66 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 120.798 -1.189 . . . . 0.0 109.021 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.27 -29.2 65.63 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.12 -38.55 78.92 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.656 1.182 . . . . 0.0 110.63 174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.9 -43.16 75.8 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 121.024 -1.047 . . . . 0.0 111.699 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -69.29 -34.44 74.72 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 119.61 -1.931 . . . . 0.0 114.524 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -36.74 -49.93 0.81 Allowed 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.826 2.05 . . . . 0.0 115.148 169.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.8 pt -92.11 -2.14 10.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.344 1.457 . . . . 0.0 112.088 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.88 41.2 62.73 Favored Glycine 0 C--N 1.344 1.008 0 O-C-N 120.509 -1.37 . . . . 0.0 116.417 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.5 m -79.9 102.07 5.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.511 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.7 m -113.25 159.76 19.0 Favored 'General case' 0 C--N 1.365 1.256 0 O-C-N 119.7 -1.875 . . . . 0.0 107.543 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -146.83 134.15 20.66 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 49.76 25.37 1.5 Allowed 'General case' 0 C--N 1.357 0.907 0 C-N-CA 127.583 2.353 . . . . 0.0 114.56 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.55 -5.68 82.41 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 126.511 2.005 . . . . 0.0 114.605 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -106.5 136.5 46.16 Favored 'General case' 0 N--CA 1.441 -0.921 0 O-C-N 120.894 -1.357 . . . . 0.0 111.084 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -84.23 137.1 33.66 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.595 -1.315 . . . . 0.0 107.85 175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.26 0.4 OUTLIER -79.4 92.71 5.24 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 119.463 -2.023 . . . . 0.0 115.554 -162.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -70.43 171.24 10.4 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 111.734 162.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -58.4 -28.31 65.07 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -170.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -54.71 -66.89 0.32 Allowed 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.635 1.574 . . . . 0.0 112.661 161.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.4 m -71.95 -30.79 65.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 126.481 1.912 . . . . 0.0 113.314 -170.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.33 -49.94 74.97 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 126.094 1.758 . . . . 0.0 112.047 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -80.33 -35.16 35.98 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.143 -0.973 . . . . 0.0 110.794 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -63.21 -29.17 70.56 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 tt -74.64 -23.94 18.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 O-C-N 120.021 -1.674 . . . . 0.0 113.927 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.69 -41.52 14.94 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 C-N-CA 127.757 2.423 . . . . 0.0 112.113 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.0 t -72.65 -53.12 12.65 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 127.152 2.181 . . . . 0.0 113.334 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -88.11 81.07 7.49 Favored 'General case' 0 C--N 1.354 0.802 0 O-C-N 119.527 -1.983 . . . . 0.0 106.427 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.13 143.64 36.3 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 15.8 m -57.68 124.8 20.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 126.275 1.83 . . . . 0.0 111.651 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -46.82 -46.46 20.79 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.993 1.717 . . . . 0.0 114.976 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.69 -41.98 99.39 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.173 2.189 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -81.13 -30.73 34.47 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 120.968 -1.083 . . . . 0.0 110.841 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -59.03 -47.31 85.69 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.939 0.876 . . . . 0.0 112.139 166.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -69.2 -37.57 78.17 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 121.268 -0.895 . . . . 0.0 111.754 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.1 m -47.83 -42.88 27.32 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.876 1.27 . . . . 0.0 113.835 167.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.2 mt -70.26 -46.38 64.53 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.744 -1.222 . . . . 0.0 111.782 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.8 mt -49.75 -51.24 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.74 1.616 . . . . 0.0 111.706 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -55.18 -61.91 2.02 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 128.168 2.587 . . . . 0.0 114.932 175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.2 -47.2 15.04 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 121.254 -0.904 . . . . 0.0 113.179 -171.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -96.86 71.29 2.52 Favored 'General case' 0 CA--C 1.513 -0.454 0 O-C-N 120.299 -1.5 . . . . 0.0 108.959 -176.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -45.18 -63.5 0.92 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 125.875 1.67 . . . . 0.0 114.575 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -86.83 -37.3 17.89 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.595 1.158 . . . . 0.0 110.697 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.88 91.56 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -73.7 -49.99 23.05 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.412 -1.64 . . . . 0.0 110.42 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -55.17 -39.2 69.26 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.535 1.134 . . . . 0.0 111.956 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.84 -61.04 4.56 Favored Glycine 0 C--N 1.354 1.556 0 C-N-CA 126.552 2.025 . . . . 0.0 114.424 169.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.16 -46.98 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 119.505 -2.174 . . . . 0.0 112.789 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -38.34 -63.89 0.46 Allowed 'General case' 0 C--N 1.355 0.845 0 C-N-CA 127.72 2.408 . . . . 0.0 116.273 168.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -61.14 -35.8 78.05 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 120.343 -1.473 . . . . 0.0 113.387 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -77.04 -38.29 53.07 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 121.194 -0.941 . . . . 0.0 111.384 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.35 -40.66 77.36 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.114 -1.616 . . . . 0.0 112.802 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.65 -30.59 64.42 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 112.128 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.4 ttp -72.82 -51.72 17.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.858 -1.151 . . . . 0.0 113.519 173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -83.71 -57.07 3.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.368 -1.458 . . . . 0.0 113.79 -176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.0 p -84.21 101.64 12.02 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 120.592 -1.318 . . . . 0.0 113.2 -159.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -91.76 -166.52 1.58 Allowed 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 109.687 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.0 pttt . . . . . 0 C--N 1.349 0.559 0 O-C-N 119.507 -1.995 . . . . 0.0 111.26 166.022 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.448 -0.539 0 CA-C-O 121.266 0.555 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 91.1 t -56.53 -42.13 74.84 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 125.141 1.376 . . . . 0.0 113.078 174.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.17 -58.64 7.33 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.807 -1.183 . . . . 0.0 114.101 176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.56 -25.51 41.59 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 120.67 -1.269 . . . . 0.0 111.706 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.35 -2.65 8.92 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 121.193 -0.942 . . . . 0.0 115.304 160.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.293 2.1 pp -94.44 130.6 40.74 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.745 2.688 . . . . 0.0 117.323 -172.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -79.49 144.93 33.54 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 112.225 -2.261 . . . . 0.0 109.503 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.46 -36.56 0.58 Allowed 'General case' 0 C--N 1.349 0.55 0 C-N-CA 126.761 2.024 . . . . 0.0 116.049 166.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -64.98 -39.97 94.26 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 122.896 1.331 . . . . 0.0 112.96 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . 0.485 ' CD ' ' HZ1' ' A' ' 20' ' ' LYS . 43.4 mt-10 -73.65 -43.19 60.13 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.644 2.378 . . . . 0.0 110.503 -174.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.38 -33.28 74.45 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.48 -0.762 . . . . 0.0 111.423 170.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -71.66 -48.91 44.5 Favored 'General case' 0 C--N 1.358 0.948 0 O-C-N 120.433 -1.417 . . . . 0.0 110.469 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 21.0 m -62.04 -28.01 43.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.326 0 CA-C-N 121.583 1.992 . . . . 0.0 114.548 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 34.5 mt -61.78 -55.18 32.79 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.107 1.363 . . . . 0.0 110.709 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -79.84 5.59 13.29 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 120.55 -1.344 . . . . 0.0 113.991 176.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 34.1 mtt -94.12 -62.04 1.42 Allowed 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.336 -1.478 . . . . 0.0 110.066 166.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.994 1.318 . . . . 0.0 114.188 -165.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -87.1 -20.7 26.71 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.111 0.964 . . . . 0.0 109.933 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 90.14 3.24 73.15 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 120.829 -1.169 . . . . 0.0 114.751 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.9 mt -94.02 123.42 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 CA-C-N 118.365 1.082 . . . . 0.0 109.348 -172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -89.36 100.76 13.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 120.855 -1.153 . . . . 0.0 112.729 -169.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -92.2 109.25 20.62 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 164.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -174.89 -34.85 0.01 OUTLIER 'General case' 0 C--N 1.351 0.655 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -166.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 2.1 p -70.9 175.29 5.2 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.541 1.936 . . . . 0.0 113.334 170.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.68 132.2 51.5 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 125.618 1.567 . . . . 0.0 111.576 167.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -122.42 115.84 22.96 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 121.156 -0.965 . . . . 0.0 109.801 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 20.4 m -111.27 146.21 37.42 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 106.131 -1.803 . . . . 0.0 106.131 170.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 11.9 mt -1.71 -62.52 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 N-CA-C 120.042 3.349 . . . . 0.0 120.042 162.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -77.47 -33.23 54.68 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.926 -1.109 . . . . 0.0 112.338 -175.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.31 -43.71 66.57 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.274 1.43 . . . . 0.0 109.796 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.0 t -52.63 -47.36 49.65 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.414 1.486 . . . . 0.0 110.836 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -51.14 -55.16 20.17 Favored Glycine 0 C--N 1.353 1.502 0 C-N-CA 124.718 1.151 . . . . 0.0 114.803 171.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -71.58 -32.37 67.99 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 119.101 1.45 . . . . 0.0 108.47 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.91 -30.55 67.99 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 120.365 -1.459 . . . . 0.0 112.313 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -72.39 -56.72 4.99 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.394 -1.441 . . . . 0.0 112.652 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -24.73 -65.39 0.05 OUTLIER 'General case' 0 C--N 1.353 0.729 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 152.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.97 -55.55 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 C-N-CA 125.853 1.661 . . . . 0.0 111.579 -174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 38.0 m -48.34 -40.36 25.08 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 167.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -69.37 -50.96 41.38 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.994 -1.691 . . . . 0.0 110.439 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -53.53 -38.73 64.05 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.947 0.899 . . . . 0.0 113.239 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -56.01 -37.42 69.13 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.645 -1.284 . . . . 0.0 112.648 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . 0.475 ' HA ' HD12 ' B' ' 590' ' ' ILE . 76.0 mt -65.33 -38.54 82.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 120.666 -1.272 . . . . 0.0 110.307 174.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -76.51 -19.08 58.34 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 118.492 -2.63 . . . . 0.0 109.814 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -72.39 -40.83 66.94 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.283 -1.511 . . . . 0.0 112.04 165.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' B' ' 587' ' ' ILE . 64.4 mt -56.18 -46.11 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 120.236 -1.54 . . . . 0.0 114.569 165.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -45.22 -60.45 2.11 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 128.425 2.69 . . . . 0.0 112.136 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.94 -51.72 4.32 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.33 2.252 . . . . 0.0 114.075 170.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -73.82 -28.82 61.81 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 123.549 0.74 . . . . 0.0 111.394 -174.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.94 -37.29 40.07 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.841 1.256 . . . . 0.0 111.249 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.1 1.48 11.02 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -91.42 -29.53 17.01 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.329 1.851 . . . . 0.0 110.727 163.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -74.2 -29.28 61.67 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 119.32 -2.113 . . . . 0.0 112.587 170.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 12.7 tp -84.08 76.05 10.1 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-O 123.848 1.785 . . . . 0.0 111.276 170.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -74.93 -29.05 60.84 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.604 2.762 . . . . 0.0 114.064 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -74.86 147.47 84.05 Favored Pre-proline 0 C--N 1.348 0.537 0 O-C-N 120.907 -1.121 . . . . 0.0 112.164 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -70.63 84.59 0.79 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.031 1.82 . . . . 0.0 115.509 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 85.5 p -118.94 46.32 1.89 Allowed 'General case' 0 CA--C 1.518 -0.273 0 O-C-N 121.212 -0.93 . . . . 0.0 108.983 163.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -100.24 117.21 33.99 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.165 -0.959 . . . . 0.0 109.703 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 21.8 p -80.36 -58.13 3.28 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 121.19 -0.944 . . . . 0.0 111.306 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.3 153.08 30.0 Favored 'General case' 0 N--CA 1.444 -0.728 0 O-C-N 121.136 -0.978 . . . . 0.0 109.055 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . 0.467 HG22 ' H ' ' B' ' 607' ' ' LEU . 7.7 p -149.62 173.75 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.614 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -176.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.467 ' H ' HG22 ' B' ' 606' ' ' VAL . 2.9 mm? -96.89 102.3 14.05 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.644 -1.91 . . . . 0.0 110.675 -171.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -78.75 -125.52 0.01 OUTLIER 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.382 1.073 . . . . 0.0 113.102 167.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 18.2 p -114.65 -62.52 1.59 Allowed 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.48 1.512 . . . . 0.0 110.877 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -64.3 -19.83 65.68 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 118.952 2.945 . . . . 0.0 118.952 -168.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.9 31.26 4.59 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 123.732 2.969 . . . . 0.0 109.808 -171.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -59.74 159.81 8.26 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 . . . . . 0 CA--C 1.551 0.992 0 O-C-N 120.216 -1.552 . . . . 0.0 110.271 -177.181 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.6 m120 . . . . . 0 N--CA 1.442 -0.836 0 CA-C-O 122.752 1.263 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -62.48 128.61 36.84 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.562 2.345 . . . . 0.0 114.019 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -74.81 -63.0 1.35 Allowed 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.519 -1.363 . . . . 0.0 110.334 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 tp -71.56 -27.06 27.38 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 C-N-CA 124.395 1.078 . . . . 0.0 112.185 -166.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.98 -44.83 88.04 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.523 1.529 . . . . 0.0 111.572 174.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.0 m -63.59 -51.07 66.9 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 120.737 -1.227 . . . . 0.0 110.841 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.394 1.0 OUTLIER -56.88 -39.95 68.37 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 O-C-N 120.884 -1.135 . . . . 0.0 113.533 172.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -57.03 -38.57 73.35 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 126.053 1.741 . . . . 0.0 114.258 172.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.07 -54.83 38.05 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.563 -1.336 . . . . 0.0 110.325 169.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.5 mt -57.0 -35.28 46.98 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 126.847 2.059 . . . . 0.0 114.617 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.2 mt -61.87 -52.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 O-C-N 120.275 -1.516 . . . . 0.0 109.967 171.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.0 m -58.15 -53.59 56.57 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 125.264 1.426 . . . . 0.0 113.001 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.8 t -51.43 -52.0 22.12 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 C-N-CA 128.277 2.631 . . . . 0.0 113.713 172.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.54 -24.17 61.09 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 120.423 -1.423 . . . . 0.0 113.362 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 m -72.63 -48.03 42.83 Favored 'General case' 0 C--N 1.36 1.065 0 O-C-N 120.563 -1.336 . . . . 0.0 107.405 -170.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -34.02 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 127.998 2.519 . . . . 0.0 116.006 155.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -52.51 -43.88 65.37 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 119.795 -1.815 . . . . 0.0 112.909 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mm -65.34 -54.51 27.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 C-N-CA 128.74 2.816 . . . . 0.0 112.602 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -77.58 -33.83 53.77 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 116.976 -3.578 . . . . 0.0 111.749 -169.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -80.61 -42.38 22.3 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 124.023 0.929 . . . . 0.0 112.185 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.8 -8.31 9.45 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.409 16.8 mtt180 67.05 -124.03 0.23 Allowed 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -99.62 5.98 45.79 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.018 -1.676 . . . . 0.0 111.277 -165.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -51.2 -75.57 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 131.187 3.795 . . . . 0.0 114.336 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.7 mt -87.33 -42.5 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 122.197 0.998 . . . . 0.0 109.92 -167.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 27' ' ' VAL . 48.9 t -41.47 -43.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.319 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 168.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -44.76 -59.83 2.32 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.522 1.529 . . . . 0.0 112.954 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -70.94 119.02 14.46 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.302 -1.317 . . . . 0.0 111.869 -166.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -61.12 -35.18 76.34 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.47 -1.394 . . . . 0.0 114.346 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.74 -46.94 64.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.755 -1.216 . . . . 0.0 112.818 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.5 -34.51 71.0 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.109 1.364 . . . . 0.0 114.145 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -60.9 -70.18 0.19 Allowed 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.215 -1.553 . . . . 0.0 113.754 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 28.4 mm -22.52 -61.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 128.453 2.701 . . . . 0.0 115.269 149.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.49 63.79 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 119.864 -1.773 . . . . 0.0 115.682 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -44.61 76.21 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.99 1.316 . . . . 0.0 111.286 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.69 -47.46 86.16 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 122.565 1.174 . . . . 0.0 110.468 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -63.94 -51.21 65.45 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 120.612 -1.305 . . . . 0.0 113.555 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.7 -57.28 3.28 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 117.305 2.335 . . . . 0.0 117.305 167.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 pt -83.48 -11.38 11.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 O-C-N 119.666 -1.896 . . . . 0.0 111.67 -171.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.05 55.15 1.41 Allowed Glycine 0 CA--C 1.49 -1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 113.002 163.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 t -75.94 109.68 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 O-C-N 121.723 -0.869 . . . . 0.0 109.034 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -107.22 145.12 33.04 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 120.292 -1.505 . . . . 0.0 112.142 -167.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -151.03 132.29 14.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 164.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 56.55 19.98 4.57 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.2 -2.59 71.67 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.34 -1.475 . . . . 0.0 114.081 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -103.48 154.76 19.1 Favored 'General case' 0 CA--C 1.509 -0.618 0 O-C-N 120.306 -1.703 . . . . 0.0 108.588 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -90.74 133.46 35.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 163.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.387 1.0 OUTLIER -72.72 102.31 3.31 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 124.738 2.209 . . . . 0.0 116.563 -166.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -69.04 177.86 2.49 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.597 1.959 . . . . 0.0 113.412 169.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -58.32 -36.98 74.19 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.779 1.77 . . . . 0.0 115.779 -175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -64.64 -58.42 6.35 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.677 1.591 . . . . 0.0 113.331 166.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.0 t -65.19 -32.49 74.19 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.528 1.531 . . . . 0.0 113.481 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -63.44 -57.46 10.2 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 125.757 1.623 . . . . 0.0 111.755 171.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -76.07 -11.16 59.89 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 119.591 -1.943 . . . . 0.0 112.461 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -62.5 -48.04 81.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 120.745 -1.222 . . . . 0.0 113.736 165.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.6 pt -67.37 -24.49 31.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 119.773 -1.829 . . . . 0.0 113.214 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.77 -36.14 63.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 124.677 1.191 . . . . 0.0 111.458 169.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 t -66.31 -48.32 70.72 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 119.732 -1.855 . . . . 0.0 113.181 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -60.93 -18.29 55.99 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 127.716 2.407 . . . . 0.0 117.293 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 pp -94.29 150.06 20.65 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.206 -1.559 . . . . 0.0 111.02 174.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.1 p -86.72 173.87 9.2 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-O 124.414 2.054 . . . . 0.0 114.176 -175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -55.23 -35.62 65.14 Favored 'General case' 0 N--CA 1.448 -0.539 0 O-C-N 119.257 -2.152 . . . . 0.0 115.785 161.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -70.33 -52.35 23.36 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 120.411 -1.431 . . . . 0.0 113.51 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.308 1.0 OUTLIER -38.54 -58.1 1.08 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 124.446 2.069 . . . . 0.0 115.25 165.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -58.99 -42.07 89.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.583 2.353 . . . . 0.0 114.157 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -72.59 -40.58 66.46 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 124.428 1.091 . . . . 0.0 109.917 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.4 m -52.12 -45.15 64.83 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.939 2.096 . . . . 0.0 112.35 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -58.96 5.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 127.08 2.152 . . . . 0.0 112.827 171.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.1 mt -48.52 -46.63 14.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 C-N-CA 124.75 1.22 . . . . 0.0 112.662 172.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.85 -36.36 82.98 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.45 -1.406 . . . . 0.0 114.26 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -80.03 -56.23 4.39 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.034 1.334 . . . . 0.0 111.669 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -104.7 78.7 1.47 Allowed 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 127.045 2.138 . . . . 0.0 109.087 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -60.27 -64.94 0.78 Allowed 'General case' 0 C--N 1.351 0.63 0 C-N-CA 125.53 1.532 . . . . 0.0 113.026 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.87 -41.64 59.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.089 0.956 . . . . 0.0 110.188 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.97 -58.86 12.06 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 126.596 2.046 . . . . 0.0 116.525 -175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -82.49 -44.84 15.47 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.751 -1.44 . . . . 0.0 111.471 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.82 -32.54 73.75 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.237 0.926 . . . . 0.0 111.757 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.27 -50.38 40.64 Favored Glycine 0 C--N 1.35 1.346 0 C-N-CA 124.712 1.148 . . . . 0.0 115.275 164.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 69.4 t -78.56 -49.67 20.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.608 2.204 . . . . 0.0 111.315 -175.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -28.48 -54.72 0.11 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.484 2.314 . . . . 0.0 116.815 156.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -57.85 -28.87 64.51 Favored 'General case' 0 C--N 1.345 0.385 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -90.41 -38.51 13.25 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.69 -1.256 . . . . 0.0 110.791 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -35.58 77.01 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 127.265 2.226 . . . . 0.0 114.519 -177.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -87.14 -12.57 46.65 Favored 'General case' 0 C--N 1.346 0.413 0 O-C-N 120.179 -1.575 . . . . 0.0 112.705 174.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.5 ttm -92.02 -51.89 4.98 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.518 1.527 . . . . 0.0 112.421 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -84.62 -3.51 58.53 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.655 -1.278 . . . . 0.0 113.608 -173.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.5 t -77.69 122.43 25.33 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 123.145 1.45 . . . . 0.0 113.316 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -92.17 148.79 21.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.691 -1.255 . . . . 0.0 110.542 173.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt . . . . . 0 C--N 1.358 0.948 0 O-C-N 119.547 -1.97 . . . . 0.0 110.635 -177.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--O 1.224 -0.262 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.98 -47.15 94.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.319 1.448 . . . . 0.0 112.138 168.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.9 -54.15 43.13 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 113.157 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -75.44 -23.71 56.97 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 120.011 -1.681 . . . . 0.0 109.74 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 79.76 66.98 1.62 Allowed Glycine 0 CA--C 1.48 -2.137 0 C-N-CA 126.336 1.922 . . . . 0.0 111.213 175.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.4 pp -136.49 140.18 42.85 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 101.997 -3.334 . . . . 0.0 101.997 173.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 76.5 p -81.34 168.36 18.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 122.519 1.152 . . . . 0.0 111.434 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -71.84 -19.93 61.9 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.254 -2.154 . . . . 0.0 110.891 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -73.02 -28.27 62.25 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 123.103 1.43 . . . . 0.0 111.1 176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -69.04 -44.19 73.15 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.071 1.348 . . . . 0.0 110.306 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.54 77.84 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.57 -1.331 . . . . 0.0 114.123 168.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -56.05 -58.33 8.38 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 122.214 1.007 . . . . 0.0 112.512 168.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.1 p -70.39 -23.75 24.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.144 -1.597 . . . . 0.0 115.257 -170.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 58.3 mt -66.42 -42.39 87.81 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 120.813 -1.179 . . . . 0.0 111.474 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -55.77 -61.88 2.06 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 120.885 -1.134 . . . . 0.0 113.179 156.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 8.7 tmm? -56.58 -66.62 0.41 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 117.547 2.425 . . . . 0.0 117.547 -170.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -89.19 -35.15 16.38 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.91 -1.118 . . . . 0.0 113.467 -175.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -88.95 -21.32 23.61 Favored 'General case' 0 C--N 1.36 1.042 0 O-C-N 120.833 -1.167 . . . . 0.0 111.158 -170.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.21 46.9 9.65 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.386 -2.071 . . . . 0.0 114.686 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 2.7 mt -116.3 122.81 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.482 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 170.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -96.75 111.69 23.75 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -153.61 38.2 0.47 Allowed 'General case' 0 C--N 1.352 0.694 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 -166.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.18 73.78 1.25 Allowed 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 103.601 -2.74 . . . . 0.0 103.601 -169.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.6 t -140.19 -155.02 0.55 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 120.236 -1.54 . . . . 0.0 111.405 -150.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.2 129.18 37.33 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 125.412 1.485 . . . . 0.0 110.77 165.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -123.12 123.3 40.52 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 120.623 -1.298 . . . . 0.0 108.733 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 58.3 m -117.97 152.67 35.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 105.779 -1.934 . . . . 0.0 105.779 175.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -27.4 -58.14 0.1 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 128.246 2.618 . . . . 0.0 117.882 175.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 51.7 mp0 -69.94 -38.62 76.21 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 120.299 -1.5 . . . . 0.0 111.274 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -66.54 -44.17 83.14 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 125.487 1.515 . . . . 0.0 112.056 174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 16.9 t -51.07 -53.93 12.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 126.138 1.775 . . . . 0.0 111.332 171.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -63.75 -47.86 82.43 Favored Glycine 0 C--N 1.348 1.219 0 C-N-CA 124.715 1.15 . . . . 0.0 112.744 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -66.44 -39.24 88.79 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-O 123.306 1.527 . . . . 0.0 108.853 -169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.87 -27.26 69.22 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 127.163 2.185 . . . . 0.0 112.092 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.39 -61.99 1.59 Allowed 'General case' 0 C--N 1.349 0.576 0 C-N-CA 125.395 1.478 . . . . 0.0 111.324 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.02 -48.08 52.85 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 130.212 3.405 . . . . 0.0 117.35 163.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 70.3 t -48.88 -66.25 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 124.159 0.983 . . . . 0.0 112.196 162.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -9.91 57.78 Favored 'General case' 0 C--N 1.345 0.394 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 -176.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -66.68 -48.59 68.85 Favored 'General case' 0 C--N 1.364 1.23 0 O-C-N 119.674 -1.891 . . . . 0.0 107.737 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -58.3 -26.13 62.65 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.306 -1.315 . . . . 0.0 113.287 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -67.08 -33.04 74.64 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 118.929 -2.357 . . . . 0.0 112.122 174.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.95 -45.93 86.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 119.914 -1.741 . . . . 0.0 111.934 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -58.19 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 118.543 2.794 . . . . 0.0 118.543 154.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -48.82 -51.38 29.78 Favored 'General case' 0 C--N 1.345 0.383 0 N-CA-C 115.422 1.638 . . . . 0.0 115.422 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.99 -47.55 86.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.517 0 C-N-CA 125.427 1.491 . . . . 0.0 112.786 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -60.83 -51.82 67.69 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.514 1.926 . . . . 0.0 111.484 -172.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -50.15 -45.2 52.97 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.911 1.685 . . . . 0.0 113.465 173.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -70.96 -47.87 56.52 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 124.445 1.098 . . . . 0.0 112.591 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.95 -39.88 66.31 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.732 1.613 . . . . 0.0 112.83 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 57.3 mt -75.45 -11.42 60.03 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.885 -1.134 . . . . 0.0 113.338 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -74.07 -26.36 60.34 Favored 'General case' 0 C--N 1.377 1.771 0 CA-C-N 122.754 2.525 . . . . 0.0 106.873 -169.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.68 -24.57 56.31 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 131.05 3.74 . . . . 0.0 112.041 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 18.4 tp -74.45 137.89 42.9 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 163.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -131.28 -36.15 1.31 Allowed 'General case' 0 CA--C 1.503 -0.856 0 O-C-N 120.703 -1.248 . . . . 0.0 111.152 -162.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -78.24 152.9 79.35 Favored Pre-proline 0 C--N 1.349 0.569 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 163.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -71.97 162.29 42.32 Favored 'Trans proline' 0 C--N 1.324 -0.73 0 CA-C-N 122.864 2.059 . . . . 0.0 112.287 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.2 m -135.0 -72.1 0.48 Allowed 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 167.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -82.81 102.78 11.82 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 39.9 m -79.26 -48.44 14.14 Favored 'General case' 0 CA--C 1.51 -0.585 0 O-C-N 120.857 -1.152 . . . . 0.0 112.077 -171.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -79.5 166.74 21.64 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.916 1.286 . . . . 0.0 112.233 -171.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 60.8 t -82.14 131.17 34.44 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 O-C-N 120.626 -1.296 . . . . 0.0 110.368 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.2 49.53 1.42 Allowed 'General case' 0 C--N 1.349 0.558 0 O-C-N 119.148 -2.22 . . . . 0.0 111.585 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -97.05 -28.19 14.26 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 124.289 1.036 . . . . 0.0 111.618 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 14.3 p -100.31 -64.3 1.05 Allowed 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -155.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.67 -72.28 0.05 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.87 1.668 . . . . 0.0 114.612 -176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . 0.495 HD13 ' H ' ' B' ' 611' ' ' LEU 0.269 0.0 OUTLIER -35.84 -37.41 0.1 Allowed 'General case' 0 CA--C 1.541 0.622 1 N-CA-C 122.195 4.146 . . . . 0.0 122.195 168.745 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -115.62 93.24 4.19 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.207 -1.558 . . . . 0.0 109.4 -159.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 N--CA 1.442 -0.825 0 O-C-N 121.046 -1.034 . . . . 0.0 108.973 -179.843 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . 0.29 28.0 m120 . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 117.472 -1.252 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 161.23 15.99 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 124.36 3.254 . . . . 0.0 114.333 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -57.9 -44.46 86.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.591 2.356 . . . . 0.0 115.854 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.0 mm -57.02 -30.34 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 125.485 1.514 . . . . 0.0 114.511 -169.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.25 -57.18 2.64 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 127.063 2.145 . . . . 0.0 114.212 168.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.6 m -79.58 -33.62 41.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.32 1.448 . . . . 0.0 110.002 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.3 t -54.13 -57.52 5.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 C-N-CA 124.581 1.152 . . . . 0.0 112.343 168.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -44.34 -48.97 9.7 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 126.055 1.742 . . . . 0.0 113.083 168.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.24 -56.05 26.24 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 125.249 1.419 . . . . 0.0 113.796 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.7 mt -51.23 -47.94 32.65 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 C-N-CA 126.506 1.922 . . . . 0.0 113.752 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mm -59.25 -44.49 92.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 124.875 1.27 . . . . 0.0 111.794 172.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 m -59.63 -52.32 66.03 Favored 'General case' 0 C--N 1.343 0.301 0 O-C-N 120.532 -1.355 . . . . 0.0 112.346 174.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -70.3 -30.93 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.608 1.163 . . . . 0.0 110.456 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.12 96.35 Favored 'General case' 0 N--CA 1.431 -1.397 0 O-C-N 117.612 -3.18 . . . . 0.0 115.753 162.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -77.09 -42.22 39.03 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 121.655 2.025 . . . . 0.0 109.401 -164.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 74.0 mt -33.41 -62.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.927 0 C-N-CA 129.433 3.093 . . . . 0.0 114.248 158.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -56.16 -43.39 78.3 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-O 122.466 1.127 . . . . 0.0 113.746 176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.32 -55.72 20.64 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 124.589 1.156 . . . . 0.0 112.413 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -71.72 -49.89 35.17 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 118.548 -2.595 . . . . 0.0 110.735 -171.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -72.08 -43.11 65.35 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.602 1.161 . . . . 0.0 113.139 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 p -116.02 -13.54 11.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.391 0.1 OUTLIER 61.18 -116.89 0.69 Allowed 'General case' 0 C--O 1.222 -0.355 0 O-C-N 119.819 -1.801 . . . . 0.0 112.495 -172.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -106.91 0.09 23.59 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 120.007 -1.683 . . . . 0.0 113.132 -163.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.07 -55.02 40.1 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 125.344 1.458 . . . . 0.0 113.93 -175.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.402 HG21 ' CE1' ' A' ' 36' ' ' PHE . 4.8 mp -89.14 -46.31 15.36 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.767 -1.208 . . . . 0.0 110.434 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 27' ' ' VAL . 5.6 t -35.96 -47.5 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.66 0 C-N-CA 129.487 3.115 . . . . 0.0 117.142 174.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -61.19 -33.86 74.14 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 123.776 1.751 . . . . 0.0 113.715 -176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -85.05 82.94 8.22 Favored 'General case' 0 C--N 1.367 1.335 0 N-CA-C 105.314 -2.106 . . . . 0.0 105.314 -171.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -58.77 -29.74 67.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 117.013 2.227 . . . . 0.0 117.013 -159.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.21 -34.61 78.42 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.595 -1.94 . . . . 0.0 114.458 170.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -33.16 74.24 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.553 1.141 . . . . 0.0 112.735 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -61.14 -62.62 1.71 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.141 1.376 . . . . 0.0 113.901 174.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 mp -22.61 -62.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 129.363 3.065 . . . . 0.0 112.269 144.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.75 -40.33 75.58 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 118.322 -2.736 . . . . 0.0 116.289 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 26' ' ' ILE . 0.7 OUTLIER -67.09 -42.64 84.3 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 125.231 1.413 . . . . 0.0 113.112 178.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.35 -42.83 99.33 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 119.875 -1.766 . . . . 0.0 112.498 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -76.65 -30.83 56.99 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.738 -1.226 . . . . 0.0 111.752 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -41.76 -60.19 1.44 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 128.006 2.522 . . . . 0.0 115.464 165.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.2 pt -89.19 6.77 3.9 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-O 122.158 0.98 . . . . 0.0 111.298 -173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.95 49.94 6.16 Favored Glycine 0 C--N 1.346 1.089 0 C-N-CA 125.77 1.653 . . . . 0.0 114.798 158.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -96.35 135.07 31.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -144.49 179.02 7.54 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -150.91 128.2 11.29 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 57.77 17.82 4.43 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 116.801 2.149 . . . . 0.0 116.801 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.53 -8.4 74.57 Favored Glycine 0 C--N 1.356 1.663 0 O-C-N 120.216 -1.552 . . . . 0.0 113.014 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -102.55 143.04 32.76 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 120.855 -1.379 . . . . 0.0 108.55 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -74.68 145.15 43.39 Favored 'General case' 0 CA--C 1.509 -0.603 0 O-C-N 120.468 -1.395 . . . . 0.0 110.954 169.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.73 74.17 9.19 Favored 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.086 -1.634 . . . . 0.0 112.625 -176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -75.02 -171.11 1.26 Allowed 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 120.454 -1.404 . . . . 0.0 109.42 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -49.34 -43.05 43.44 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 119.992 -1.692 . . . . 0.0 114.669 -172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -58.97 -67.99 0.31 Allowed 'General case' 0 C--N 1.346 0.447 0 CA-C-O 122.778 1.275 . . . . 0.0 113.896 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 p -76.65 -23.18 53.3 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 126.663 1.985 . . . . 0.0 112.962 -165.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.03 -48.53 81.34 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.323 1.049 . . . . 0.0 110.949 164.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -75.09 -28.78 60.42 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 120.34 -1.475 . . . . 0.0 111.482 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.82 -25.75 66.6 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.149 -1.594 . . . . 0.0 114.755 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 tt -81.02 -35.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 O-C-N 119.985 -1.697 . . . . 0.0 113.637 177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -86.22 -34.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 127.325 2.25 . . . . 0.0 115.081 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.0 t -70.97 -58.49 3.53 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.263 1.825 . . . . 0.0 112.106 164.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -90.43 66.71 6.47 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.322 -2.111 . . . . 0.0 108.28 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 22.1 tp -122.35 147.77 45.87 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 130.59 3.556 . . . . 0.0 103.956 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -71.41 -174.78 1.12 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.647 -1.283 . . . . 0.0 113.039 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -83.44 -54.79 4.71 Favored 'General case' 0 N--CA 1.443 -0.81 0 O-C-N 120.055 -1.653 . . . . 0.0 109.807 174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -55.54 -46.88 77.05 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.978 1.711 . . . . 0.0 115.099 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.6 p30 -85.83 -28.65 24.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.518 -0.754 . . . . 0.0 111.986 -171.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -41.07 98.94 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.474 1.488 . . . . 0.0 111.074 165.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -68.34 -44.7 74.73 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 124.91 1.284 . . . . 0.0 110.937 -174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.4 m -50.01 -43.64 50.71 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.311 2.245 . . . . 0.0 113.751 170.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 mp -67.66 -47.37 69.72 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.463 1.505 . . . . 0.0 111.009 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.6 mt -53.52 -53.45 24.92 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 C-N-CA 123.842 0.857 . . . . 0.0 112.471 169.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -51.87 -33.05 34.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.123 1.769 . . . . 0.0 115.036 174.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -81.57 -53.67 6.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.052 1.341 . . . . 0.0 112.435 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -111.6 68.87 0.67 Allowed 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.157 1.783 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -60.27 -54.79 41.57 Favored 'General case' 0 C--N 1.35 0.62 0 C-N-CA 124.95 1.3 . . . . 0.0 112.548 -170.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -67.69 -33.43 74.9 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.2 -40.18 6.19 Favored Glycine 0 C--N 1.355 1.622 0 O-C-N 119.416 -2.053 . . . . 0.0 114.461 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.02 -54.08 21.03 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 119.628 1.714 . . . . 0.0 110.47 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -57.6 -40.07 78.24 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 126.185 1.794 . . . . 0.0 111.752 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.96 -56.34 12.97 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 125.742 1.639 . . . . 0.0 115.476 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -91.04 -39.67 11.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-N 120.227 2.014 . . . . 0.0 112.46 -168.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -43.83 71.5 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.403 -1.436 . . . . 0.0 110.145 -170.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -62.0 -46.74 87.89 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.446 0.1 OUTLIER -74.49 -17.97 60.68 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 120.314 -1.491 . . . . 0.0 113.982 -179.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.6 tp -71.3 -54.16 11.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 121.458 -0.776 . . . . 0.0 112.22 162.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -64.54 -32.93 74.78 Favored 'General case' 0 C--N 1.346 0.431 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -16.37 62.68 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.252 -1.53 . . . . 0.0 113.495 177.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -72.51 -35.3 68.08 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 123.848 0.859 . . . . 0.0 113.074 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 p -93.53 135.54 34.69 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.057 1.408 . . . . 0.0 113.523 -166.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -115.67 153.97 30.35 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.703 -1.248 . . . . 0.0 111.972 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--N 1.36 1.037 0 O-C-N 119.839 -1.788 . . . . 0.0 111.112 177.623 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.446 -0.654 0 CA-C-O 121.001 0.429 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.65 -45.34 98.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.948 -1.095 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.37 -56.84 16.95 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -79.18 -26.13 42.71 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 119.763 1.165 . . . . 0.0 112.945 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 112.58 -33.23 5.76 Favored Glycine 0 CA--C 1.491 -1.44 0 O-C-N 120.076 -1.64 . . . . 0.0 111.668 171.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.34 115.72 18.25 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.971 0.891 . . . . 0.0 111.52 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.25 170.54 8.51 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 126.078 1.751 . . . . 0.0 114.539 -172.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.98 -44.9 1.13 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.768 2.136 . . . . 0.0 116.768 170.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.9 mtp85 -70.52 -38.39 74.25 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-O 123.275 1.512 . . . . 0.0 111.168 -173.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -63.87 -52.56 59.46 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 129.047 2.939 . . . . 0.0 111.511 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.15 -33.4 74.43 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 123.415 0.686 . . . . 0.0 112.808 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 56.3 tttt -70.07 -42.97 72.1 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.744 -1.223 . . . . 0.0 111.377 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.28 -29.69 48.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 119.902 -1.749 . . . . 0.0 113.075 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 59.9 mt -57.0 -40.42 76.55 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.931 1.292 . . . . 0.0 112.252 171.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.5 mtm-85 -79.34 -37.64 37.06 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.58 1.152 . . . . 0.0 112.484 167.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 91.1 mtp -71.56 -59.44 2.76 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 117.388 -3.32 . . . . 0.0 114.683 -176.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -92.78 -55.22 3.45 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.667 -1.271 . . . . 0.0 112.279 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -70.12 -23.14 62.98 Favored 'General case' 0 C--N 1.347 0.471 0 C-N-CA 124.335 1.054 . . . . 0.0 112.493 -172.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 73.8 42.81 37.36 Favored Glycine 0 C--N 1.349 1.269 0 C-N-CA 125.506 1.527 . . . . 0.0 116.136 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 48.9 mt -112.83 123.4 68.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 119.502 1.651 . . . . 0.0 107.568 171.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -89.92 97.7 11.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.339 -1.476 . . . . 0.0 112.531 -165.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.5 mtm -111.32 53.26 0.72 Allowed 'General case' 0 C--N 1.352 0.68 0 O-C-N 120.386 -1.446 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -116.2 -24.08 8.15 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.445 -1.41 . . . . 0.0 111.172 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 10.5 p -74.97 -170.57 1.13 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 127.013 2.125 . . . . 0.0 113.36 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -69.23 125.82 27.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 119.526 -1.984 . . . . 0.0 113.332 168.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -122.01 139.86 53.17 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 124.662 1.185 . . . . 0.0 108.137 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . 0.446 ' H ' ' HG3' ' B' ' 575' ' ' GLU . 55.3 p -97.11 173.37 7.29 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 165.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 59.5 mt -71.81 -20.27 61.87 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.428 -1.42 . . . . 0.0 111.198 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -70.45 -43.77 69.15 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 121.243 -0.911 . . . . 0.0 111.865 167.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' B' ' 572' ' ' THR . 33.3 mm-40 -59.59 -44.96 93.19 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 120.542 -1.349 . . . . 0.0 112.589 177.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 26.3 t -58.6 -48.33 85.98 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.89 1.276 . . . . 0.0 112.2 172.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.67 -43.33 99.41 Favored Glycine 0 C--N 1.351 1.399 0 C-N-CA 124.951 1.263 . . . . 0.0 113.237 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -70.25 -27.01 64.11 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.148 -1.207 . . . . 0.0 109.712 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -21.69 63.52 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 175.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -74.22 -52.92 10.94 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 120.237 1.38 . . . . 0.0 110.493 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -34.61 -66.84 0.16 Allowed 'General case' 0 C--N 1.345 0.375 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 149.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 82.8 t -51.52 -56.46 5.42 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 CA-C-N 119.634 1.107 . . . . 0.0 112.268 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 8.6 m -40.2 -54.27 2.36 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 117.262 2.319 . . . . 0.0 117.262 163.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -68.5 -42.01 79.23 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.514 -1.991 . . . . 0.0 112.341 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -59.57 -46.84 87.74 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.546 1.938 . . . . 0.0 111.611 172.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -59.54 -43.57 93.47 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.492 -1.38 . . . . 0.0 112.259 172.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 22.7 mt -60.98 -37.47 77.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 C-N-CA 125.041 1.336 . . . . 0.0 112.14 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -20.51 61.12 Favored 'General case' 0 C--N 1.361 1.082 0 CA-C-N 121.692 2.042 . . . . 0.0 109.146 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -78.06 -32.96 51.08 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.15 -2.218 . . . . 0.0 112.642 168.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 69.1 mt -55.91 -46.7 80.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 O-C-N 119.546 -1.971 . . . . 0.0 113.529 163.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -54.76 -54.63 39.55 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.411 2.684 . . . . 0.0 111.541 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.11 -55.83 6.47 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.618 1.567 . . . . 0.0 114.495 168.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -66.26 -45.11 81.69 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.943 -1.098 . . . . 0.0 112.692 -175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.07 73.92 Favored 'General case' 0 C--N 1.346 0.443 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 73.0 mt -75.48 0.83 15.8 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 171.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -99.08 -34.32 10.44 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.07 -1.644 . . . . 0.0 108.983 165.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -68.04 -38.82 82.95 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 119.671 -1.893 . . . . 0.0 114.275 170.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . 0.428 ' HG ' ' H ' ' B' ' 599' ' ' ARG . 12.8 tp -76.95 166.46 23.3 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.727 -1.233 . . . . 0.0 109.805 177.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . 0.428 ' H ' ' HG ' ' B' ' 598' ' ' LEU . 3.7 tpt180 -156.52 -39.63 0.08 Allowed 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.531 -1.356 . . . . 0.0 109.483 -160.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.92 150.55 97.73 Favored Pre-proline 0 C--N 1.351 0.645 0 C-N-CA 124.301 1.04 . . . . 0.0 111.493 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.2 166.03 30.54 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.78 1.653 . . . . 0.0 112.562 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 66.9 m -100.07 -59.93 1.62 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 122.423 1.106 . . . . 0.0 108.423 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 41.4 mtp85 -112.55 136.97 51.45 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 126.481 1.913 . . . . 0.0 108.251 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 66.1 m -80.77 -45.68 16.63 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 119.975 -1.703 . . . . 0.0 110.626 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.24 -17.81 64.4 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 117.497 2.406 . . . . 0.0 117.497 -168.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 91.6 t -74.44 118.98 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 O-C-N 120.963 -1.085 . . . . 0.0 110.716 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 21.2 mt -106.29 123.56 48.23 Favored 'General case' 0 C--N 1.365 1.252 0 O-C-N 120.206 -1.559 . . . . 0.0 107.961 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 -103.26 -24.62 13.52 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.274 -1.516 . . . . 0.0 112.445 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 14.7 t -49.16 -70.22 0.09 Allowed 'General case' 0 C--N 1.35 0.628 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 -164.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -92.87 22.04 5.18 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.214 -1.554 . . . . 0.0 112.532 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 3.2 mp -115.89 67.21 0.71 Allowed 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 128.685 2.794 . . . . 0.0 109.618 -176.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -70.78 99.54 1.74 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.666 1.586 . . . . 0.0 113.967 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 CA--C 1.551 1.018 0 O-C-N 119.412 -2.055 . . . . 0.0 111.315 176.074 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 121.051 0.453 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -133.15 171.57 13.83 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -58.7 -34.56 71.44 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.627 1.171 . . . . 0.0 112.695 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.0 mm -65.89 -27.11 40.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 O-C-N 121.326 -0.859 . . . . 0.0 113.026 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.9 -41.53 95.52 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.199 -1.563 . . . . 0.0 111.672 171.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -63.78 -43.05 97.5 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 120.145 -1.597 . . . . 0.0 111.946 169.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.33 -52.19 54.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.957 0.903 . . . . 0.0 112.59 173.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -50.33 -45.37 54.84 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 126.988 2.115 . . . . 0.0 113.78 168.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -57.48 -55.94 28.26 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.604 1.562 . . . . 0.0 113.062 173.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.8 mt -45.89 -49.51 4.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 C-N-CA 127.484 2.314 . . . . 0.0 113.946 168.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.0 mt -57.58 -48.55 82.9 Favored 'Isoleucine or valine' 0 C--N 1.352 0.715 0 CA-C-O 122.45 1.119 . . . . 0.0 110.04 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 m -63.73 -50.69 68.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.742 0.817 . . . . 0.0 113.1 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 p -76.64 -26.43 16.51 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 120.171 -1.581 . . . . 0.0 112.312 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.17 -17.18 59.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 120.979 -1.075 . . . . 0.0 113.183 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 m -73.8 -48.16 33.49 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.826 -1.796 . . . . 0.0 107.514 -171.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.9 mt -32.71 -49.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 130.954 3.701 . . . . 0.0 115.752 154.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 -53.16 59.68 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.376 -2.077 . . . . 0.0 113.353 172.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.9 mt -81.12 -56.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 125.981 1.712 . . . . 0.0 115.122 -170.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -68.5 -46.95 68.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 125.348 2.499 . . . . 0.0 111.362 -174.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -90.69 -48.61 6.95 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 130.32 3.448 . . . . 0.0 112.181 -163.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -105.15 -12.95 15.88 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 121.975 2.171 . . . . 0.0 116.09 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 82.3 165.43 0.13 Allowed 'General case' 0 C--N 1.343 0.324 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 163.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -38.35 -23.13 0.01 OUTLIER 'General case' 0 C--N 1.355 0.823 0 N-CA-C 120.519 3.526 . . . . 0.0 120.519 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -42.15 96.57 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 121.027 1.74 . . . . 0.0 115.147 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.4 pt -82.75 -36.14 13.02 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 O-C-N 120.085 -1.635 . . . . 0.0 111.315 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' HA ' ' CD1' ' A' ' 33' ' ' PHE . 14.1 t -46.95 -49.98 6.59 Favored 'Isoleucine or valine' 0 C--N 1.359 1.017 0 C-N-CA 126.951 2.101 . . . . 0.0 113.499 167.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -42.53 -43.8 3.87 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 128.051 2.541 . . . . 0.0 114.673 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -95.49 103.14 15.0 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -60.19 -38.9 84.69 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.276 -1.515 . . . . 0.0 113.207 -169.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.81 -59.82 4.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 173.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.18 -47.8 71.64 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.315 2.246 . . . . 0.0 113.413 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 27' ' ' VAL . 45.7 t80 -60.79 -53.28 59.31 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 125.718 1.607 . . . . 0.0 112.51 -174.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.47 -36.42 48.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.051 0 O-C-N 119.475 -2.016 . . . . 0.0 109.07 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -16.59 6.03 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 116.811 2.152 . . . . 0.0 116.811 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -29.52 68.25 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.845 0.858 . . . . 0.0 111.322 173.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.75 -49.7 20.04 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.005 -1.684 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -49.93 -61.83 1.91 Allowed 'General case' 0 C--N 1.357 0.899 0 C-N-CA 127.553 2.341 . . . . 0.0 113.043 175.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -29.24 -52.18 0.11 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.496 2.718 . . . . 0.0 117.049 168.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.9 pt -95.86 -8.63 9.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 O-C-N 121.09 -1.006 . . . . 0.0 112.526 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.62 42.5 5.43 Favored Glycine 0 C--N 1.347 1.184 0 O-C-N 120.858 -1.151 . . . . 0.0 115.313 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.7 t -86.45 111.21 21.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 118.836 1.318 . . . . 0.0 107.583 168.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.3 p -118.54 167.3 11.74 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 120.763 -1.211 . . . . 0.0 111.132 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -135.67 132.72 37.34 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.2 31.52 0.56 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 117.403 2.372 . . . . 0.0 117.403 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 91.08 1.88 72.08 Favored Glycine 0 C--N 1.348 1.207 0 C-N-CA 126.274 1.892 . . . . 0.0 114.498 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -107.29 138.51 43.35 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 120.913 -1.345 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -74.51 132.26 41.71 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.675 -1.265 . . . . 0.0 108.868 166.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 92.03 9.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 119.716 -1.865 . . . . 0.0 114.015 -170.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -74.87 173.37 10.7 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.997 1.319 . . . . 0.0 110.937 163.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -30.18 -63.13 0.14 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 117.818 2.525 . . . . 0.0 117.818 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -48.45 -61.94 1.75 Allowed 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.21 2.204 . . . . 0.0 114.546 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.7 t -63.76 -40.03 95.71 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 126.979 2.112 . . . . 0.0 113.308 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -59.24 -57.34 13.47 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 126.78 2.032 . . . . 0.0 113.521 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -70.78 -26.42 63.33 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.996 -1.69 . . . . 0.0 113.999 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -65.08 -42.77 93.78 Favored 'General case' 0 C--N 1.359 0.98 0 O-C-N 119.671 -1.893 . . . . 0.0 113.537 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.271 11.4 tt -60.13 -53.41 49.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 O-C-N 120.81 -1.181 . . . . 0.0 112.183 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.03 -30.03 30.68 Favored 'Isoleucine or valine' 0 C--N 1.369 1.414 0 CA-C-N 120.807 1.64 . . . . 0.0 111.169 -167.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.6 t -86.12 -17.26 35.48 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.937 -1.727 . . . . 0.0 114.521 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -95.16 17.2 14.61 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 123.586 2.903 . . . . 0.0 112.894 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.36 155.56 38.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 120.014 -1.679 . . . . 0.0 113.054 167.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.56 156.51 20.72 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 126.094 1.758 . . . . 0.0 110.482 177.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -66.85 -42.56 85.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -172.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.92 -52.5 56.09 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 125.342 1.457 . . . . 0.0 114.077 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.326 8.5 m-20 -45.92 -50.35 14.67 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 129.345 3.058 . . . . 0.0 116.456 160.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -56.43 -41.57 76.61 Favored 'General case' 0 C--N 1.373 1.627 0 O-C-N 120.196 -1.565 . . . . 0.0 112.867 170.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HA ' ' HB ' ' A' ' 70' ' ' ILE . 30.9 tptt -72.75 -22.07 60.91 Favored 'General case' 0 C--N 1.362 1.129 0 O-C-N 121.059 -1.025 . . . . 0.0 111.636 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.0 m -55.73 -46.48 77.76 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.179 -1.576 . . . . 0.0 111.442 164.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -71.07 -46.36 62.07 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.54 -1.35 . . . . 0.0 113.324 173.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 67' ' ' LYS . 77.0 mt -55.12 -45.63 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.168 0.987 . . . . 0.0 112.877 178.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -51.55 -62.62 1.51 Allowed 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.501 -1.374 . . . . 0.0 113.358 170.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -70.08 -48.6 57.06 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -174.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -129.96 73.36 1.52 Allowed 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.858 1.263 . . . . 0.0 109.323 -175.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -48.07 71.36 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.329 -1.482 . . . . 0.0 111.54 177.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -67.9 -35.46 78.53 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.432 -0.792 . . . . 0.0 111.378 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -62.41 5.44 Favored Glycine 0 C--N 1.345 1.052 0 C-N-CA 124.074 0.845 . . . . 0.0 113.934 172.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -75.9 -49.57 17.46 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.305 -1.703 . . . . 0.0 114.215 -170.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -71.75 -33.13 68.42 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 121.073 -1.017 . . . . 0.0 110.588 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.38 -40.92 92.8 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-O 119.426 -0.652 . . . . 0.0 113.76 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.77 -61.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 119.91 1.855 . . . . 0.0 112.745 168.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.278 7.5 p90 -67.07 -34.01 76.74 Favored 'General case' 0 C--N 1.365 1.278 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 -166.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -68.06 -35.42 78.2 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.663 -1.273 . . . . 0.0 112.787 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -70.85 -51.66 25.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.488 1.115 . . . . 0.0 110.588 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.2 mt -47.62 -55.01 10.27 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 125.634 1.574 . . . . 0.0 113.747 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -82.98 -3.03 56.74 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -34.74 11.52 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.727 -1.233 . . . . 0.0 111.935 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -35.93 11.5 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 120.472 -1.393 . . . . 0.0 114.026 -176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 77.0 m -101.22 120.07 39.69 Favored 'General case' 0 CA--C 1.503 -0.844 0 O-C-N 120.409 -1.432 . . . . 0.0 107.878 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -91.38 162.83 14.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.741 0.782 . . . . 0.0 110.772 -172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm . . . . . 0 C--N 1.35 0.618 0 O-C-N 120.552 -1.343 . . . . 0.0 111.528 -173.663 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 CA--C 1.543 0.682 0 CA-C-O 121.118 0.485 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 49.5 t -48.7 -46.43 15.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.97 0 C-N-CA 127.024 2.129 . . . . 0.0 114.21 168.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.2 -40.86 71.26 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 124.575 1.15 . . . . 0.0 113.69 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -84.19 -31.57 25.04 Favored 'General case' 0 C--N 1.359 1.005 0 O-C-N 120.253 -1.53 . . . . 0.0 111.599 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 126.39 -9.34 7.37 Favored Glycine 0 CA--C 1.492 -1.353 0 O-C-N 120.849 -1.157 . . . . 0.0 112.266 165.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pp -83.3 131.45 35.08 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.539 1.637 . . . . 0.0 111.202 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 73.1 p -77.52 173.03 12.45 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 119.715 -1.866 . . . . 0.0 115.573 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.73 -39.95 68.78 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 120.165 -1.585 . . . . 0.0 114.105 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -73.74 -17.76 61.07 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 122.604 1.192 . . . . 0.0 112.781 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.65 -39.82 43.8 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.564 -1.335 . . . . 0.0 110.12 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.71 72.97 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.224 1.01 . . . . 0.0 111.694 172.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -58.42 6.29 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.255 1.503 . . . . 0.0 114.569 164.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 58.8 t -56.29 -35.79 44.13 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 O-C-N 119.803 -1.811 . . . . 0.0 113.948 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.53 -46.93 83.75 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.884 1.274 . . . . 0.0 111.512 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.4 -29.82 64.08 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 120.127 -1.608 . . . . 0.0 112.759 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 32.5 mtp -81.09 -61.96 1.8 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-N 122.907 2.594 . . . . 0.0 114.28 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 68.8 mtt-85 -90.2 -34.41 15.82 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.774 -1.204 . . . . 0.0 113.28 -169.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.12 -33.68 20.82 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.888 -0.508 . . . . 0.0 109.852 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 85.2 29.37 28.15 Favored Glycine 0 C--N 1.346 1.136 0 C-N-CA 124.974 1.273 . . . . 0.0 114.902 -174.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -114.03 120.87 64.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 119.744 1.772 . . . . 0.0 109.657 175.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.46 109.6 21.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 123.723 0.809 . . . . 0.0 109.58 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 4.8 ptm -122.65 50.04 1.55 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.839 1.256 . . . . 0.0 110.19 172.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -119.41 -36.74 3.29 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.962 1.305 . . . . 0.0 111.99 -152.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 m -94.3 -121.0 0.1 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.29 1.036 . . . . 0.0 109.167 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.43 107.92 19.86 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 122.894 2.588 . . . . 0.0 110.738 -167.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -119.93 123.31 43.25 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -85.48 179.03 7.22 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 122.496 1.141 . . . . 0.0 111.753 173.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . 0.461 HD22 ' H ' ' B' ' 573' ' ' LEU . 0.7 OUTLIER -76.08 -20.24 57.88 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.355 -1.466 . . . . 0.0 110.652 -178.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -69.93 -41.06 75.09 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 122.195 0.998 . . . . 0.0 109.933 169.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -76.47 -40.88 49.08 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 125.519 1.528 . . . . 0.0 114.732 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.8 t -58.01 -34.96 50.27 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 123.321 1.534 . . . . 0.0 111.241 163.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -60.89 -54.14 39.4 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 120.158 -1.589 . . . . 0.0 112.794 169.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -67.48 -32.93 74.1 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 122.284 1.04 . . . . 0.0 109.736 -167.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -69.64 -25.25 63.83 Favored 'General case' 0 C--N 1.361 1.067 0 O-C-N 120.455 -1.403 . . . . 0.0 112.549 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -22.78 64.73 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 118.983 -2.323 . . . . 0.0 113.828 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -81.11 -67.76 0.75 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.415 1.486 . . . . 0.0 113.295 158.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 55.5 t -47.49 -63.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.699 0 C-N-CA 127.124 2.169 . . . . 0.0 114.642 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 5.1 m -59.68 -25.63 64.9 Favored 'General case' 0 C--N 1.346 0.417 0 N-CA-C 118.2 2.667 . . . . 0.0 118.2 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -44.3 67.79 Favored 'General case' 0 C--N 1.363 1.171 0 O-C-N 118.679 -2.513 . . . . 0.0 109.949 173.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.61 -47.55 76.36 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.12 169.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -54.32 -43.97 71.65 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 120.044 -1.66 . . . . 0.0 113.529 173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.39 -41.73 88.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.264 -1.522 . . . . 0.0 112.257 174.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -19.56 60.28 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 122.024 2.193 . . . . 0.0 108.777 -177.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.21 -36.37 69.15 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.239 -2.163 . . . . 0.0 113.338 168.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 63.6 mt -56.9 -48.17 81.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 126.361 1.864 . . . . 0.0 112.568 163.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.97 -55.87 27.51 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 127.059 2.144 . . . . 0.0 110.929 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -42.02 -47.84 4.5 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.561 1.944 . . . . 0.0 115.315 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -65.05 -48.33 74.19 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.757 -1.214 . . . . 0.0 112.323 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.84 -36.86 63.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 172.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 16.4 mt -75.08 -13.28 60.47 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.179 -1.576 . . . . 0.0 114.022 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -92.5 -32.36 14.9 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.103 2.561 . . . . 0.0 108.059 175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -71.93 -21.3 61.63 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 121.326 1.876 . . . . 0.0 114.254 166.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 66.8 mt -92.32 86.47 5.72 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.265 -1.522 . . . . 0.0 112.851 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -81.85 -2.54 51.41 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.383 -2.073 . . . . 0.0 115.252 172.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -83.79 115.86 61.81 Favored Pre-proline 0 C--N 1.348 0.5 0 O-C-N 119.143 -2.223 . . . . 0.0 110.28 161.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.56 109.73 2.7 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.611 2.208 . . . . 0.0 111.224 173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 31.0 m -120.08 55.37 1.0 Allowed 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -85.74 121.36 28.3 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.845 1.658 . . . . 0.0 114.055 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 72.9 m -101.91 -10.67 19.62 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 124.794 1.238 . . . . 0.0 111.936 173.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.35 132.99 43.69 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 121.169 -0.957 . . . . 0.0 112.617 -161.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.56 108.39 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.423 0 O-C-N 120.353 -1.467 . . . . 0.0 108.068 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 91.4 mt -85.69 62.68 7.62 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 118.883 -2.386 . . . . 0.0 112.495 -172.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -82.17 -93.8 0.06 Allowed 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.306 1.842 . . . . 0.0 113.586 171.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 52.0 m -77.44 35.51 0.18 Allowed 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.103 -1.623 . . . . 0.0 114.762 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -118.27 -2.28 11.18 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.164 -1.585 . . . . 0.0 114.22 -168.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.9 118.46 36.86 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 119.701 -1.875 . . . . 0.0 111.083 -165.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -105.82 -39.85 5.91 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 121.295 -0.878 . . . . 0.0 113.096 172.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 CA--C 1.549 0.939 0 O-C-N 119.827 -1.795 . . . . 0.0 109.247 179.668 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 123.374 1.559 . . . . 0.0 107.816 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -91.34 124.79 35.8 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.194 1.798 . . . . 0.0 112.818 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.22 -48.84 10.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 121.103 -0.998 . . . . 0.0 111.223 -176.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.9 tp -64.02 -13.82 14.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 O-C-N 120.788 -1.195 . . . . 0.0 114.098 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -57.01 -52.09 66.67 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.026 -1.671 . . . . 0.0 112.45 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 m -70.77 -30.21 66.64 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.519 -1.363 . . . . 0.0 110.984 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.04 -46.39 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.624 0.77 . . . . 0.0 111.82 172.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -56.93 -38.23 72.59 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.438 -2.039 . . . . 0.0 113.778 171.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -59.89 -55.06 38.79 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 120.817 -1.177 . . . . 0.0 113.087 166.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.1 -46.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 C-N-CA 126.21 1.804 . . . . 0.0 113.535 172.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mm -66.15 -45.71 89.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 120.751 -1.218 . . . . 0.0 110.052 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -56.02 -54.3 46.5 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.824 1.249 . . . . 0.0 112.818 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -75.73 -26.86 18.24 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 O-C-N 121.213 -0.929 . . . . 0.0 112.084 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.18 -17.55 61.36 Favored 'General case' 0 N--CA 1.439 -1.011 0 O-C-N 120.395 -1.441 . . . . 0.0 112.529 169.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 t -75.38 -54.63 6.74 Favored 'General case' 0 C--N 1.362 1.15 0 CA-C-O 124.475 2.084 . . . . 0.0 105.956 -169.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.2 mt -28.95 -59.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.167 1 C-N-CA 132.81 4.444 . . . . 0.0 113.523 162.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.1 mt -53.13 -47.89 68.31 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.519 1.152 . . . . 0.0 113.251 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.5 mm -70.26 -49.18 56.38 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.776 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.94 -46.67 88.63 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-O 122.787 1.279 . . . . 0.0 111.382 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -87.52 -58.71 2.48 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 125.644 1.577 . . . . 0.0 112.528 -176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.4 m -107.37 2.14 24.2 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.907 -1.121 . . . . 0.0 112.772 -166.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.39 6.3 tpp180 63.62 -119.37 0.51 Allowed 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.975 1.71 . . . . 0.0 113.743 177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.63 -11.17 9.47 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 121.1 1.773 . . . . 0.0 115.1 -163.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.26 -55.1 39.15 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.339 -1.476 . . . . 0.0 114.073 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.8 pt -75.5 -34.38 29.55 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 O-C-N 120.691 -1.256 . . . . 0.0 113.561 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG23 ' H ' ' A' ' 27' ' ' VAL . 21.4 t -40.8 -45.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 128.566 2.746 . . . . 0.0 116.669 164.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -51.37 -46.73 62.86 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-O 123.564 1.649 . . . . 0.0 114.428 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -75.79 114.46 14.43 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 113.485 -1.689 . . . . 0.0 110.54 -163.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -77.02 -36.46 56.21 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 120.249 -1.532 . . . . 0.0 111.933 -160.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.96 -46.75 80.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 123.658 0.783 . . . . 0.0 111.755 172.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -57.13 -43.75 82.67 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.22 -51.74 68.48 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.559 -1.338 . . . . 0.0 113.46 -172.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.02 -50.75 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 1 C-N-CA 132.92 4.488 . . . . 0.0 112.394 162.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -25.27 66.09 Favored 'General case' 0 CA--C 1.543 0.711 1 O-C-N 116.099 -4.125 . . . . 0.0 116.918 175.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -66.76 -31.79 72.66 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.389 1.876 . . . . 0.0 110.708 172.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.1 mt -69.21 -46.55 67.14 Favored 'General case' 0 CA--C 1.515 -0.37 0 O-C-N 120.591 -1.318 . . . . 0.0 110.363 174.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.49 -43.07 99.51 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 119.854 -1.779 . . . . 0.0 112.113 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.98 -49.55 2.49 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 116.538 2.051 . . . . 0.0 116.538 169.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.1 pt -92.1 0.88 9.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 121.066 -1.022 . . . . 0.0 111.671 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.89 50.47 5.91 Favored Glycine 0 C--N 1.345 1.048 0 O-C-N 120.395 -1.44 . . . . 0.0 114.23 170.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 t -87.32 110.69 20.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 171.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.4 p -112.85 167.21 10.69 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.466 -1.396 . . . . 0.0 107.613 170.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -144.05 134.74 24.99 Favored 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 47.17 27.04 0.75 Allowed 'General case' 0 C--N 1.355 0.839 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.28 -0.5 89.33 Favored Glycine 0 C--N 1.35 1.31 0 O-C-N 120.622 -1.299 . . . . 0.0 115.086 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 118.892 1.346 . . . . 0.0 109.152 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -75.96 134.79 40.1 Favored 'General case' 0 C--N 1.366 1.291 0 O-C-N 120.237 -1.54 . . . . 0.0 107.677 -168.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.35 82.68 0.05 Allowed 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -174.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.9 -172.63 3.24 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.933 2.093 . . . . 0.0 114.83 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -58.56 -70.91 0.13 Allowed 'General case' 0 C--N 1.359 1.016 0 N-CA-C 117.654 2.465 . . . . 0.0 117.654 -166.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -46.5 -46.94 19.41 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 126.237 1.815 . . . . 0.0 115.739 164.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 p -64.0 -31.95 73.33 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.092 -1.63 . . . . 0.0 115.023 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -66.58 -40.67 89.05 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.734 1.214 . . . . 0.0 110.371 169.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -71.34 -45.43 62.96 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.243 -1.536 . . . . 0.0 109.848 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -55.36 -43.04 74.71 Favored 'General case' 0 C--N 1.349 0.563 0 C-N-CA 126.943 2.097 . . . . 0.0 114.451 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.7 tt -65.63 -36.78 78.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 O-C-N 121.056 -1.027 . . . . 0.0 112.548 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.6 t -70.27 -49.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 128.209 2.604 . . . . 0.0 113.807 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.6 p -70.95 -34.42 71.46 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 119.568 -1.957 . . . . 0.0 113.875 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -94.76 25.39 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 123.183 2.72 . . . . 0.0 113.57 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.27 145.3 55.91 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-O 123.654 1.692 . . . . 0.0 113.788 164.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -81.11 148.91 29.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.818 1.247 . . . . 0.0 107.883 163.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -63.88 -37.43 87.36 Favored 'General case' 0 C--N 1.344 0.33 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 -172.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.9 -41.41 64.64 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 120.542 -1.348 . . . . 0.0 112.923 -173.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -43.8 -62.08 1.22 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 129.286 3.035 . . . . 0.0 114.305 167.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -66.4 -35.42 80.28 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -73.08 -26.74 61.37 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.091 -1.63 . . . . 0.0 110.143 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.0 m -58.71 -39.12 79.88 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 119.618 -1.927 . . . . 0.0 112.478 167.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.81 -53.63 51.27 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 120.625 -1.297 . . . . 0.0 112.807 166.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.8 mt -47.84 -55.36 2.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 125.476 1.51 . . . . 0.0 112.556 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.83 -27.18 69.15 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.291 -1.506 . . . . 0.0 114.18 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -79.72 -66.47 0.87 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.996 -1.065 . . . . 0.0 110.77 170.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.07 94.77 4.32 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.857 1.313 . . . . 0.0 110.455 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.62 -52.89 63.77 Favored 'General case' 0 C--N 1.349 0.572 0 C-N-CA 127.224 2.209 . . . . 0.0 112.064 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.77 -32.97 74.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 125.152 1.381 . . . . 0.0 110.729 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.49 -59.95 7.87 Favored Glycine 0 C--N 1.345 1.066 0 C-N-CA 125.459 1.504 . . . . 0.0 112.712 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -76.57 -45.69 29.39 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -62.59 -30.63 71.48 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 119.804 -1.81 . . . . 0.0 112.541 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.76 -59.26 11.13 Favored Glycine 0 CA--C 1.491 -1.411 0 C-N-CA 125.493 1.52 . . . . 0.0 114.029 176.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -62.54 -44.64 99.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 CA-C-N 118.394 1.097 . . . . 0.0 112.61 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -34.51 -67.11 0.15 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 127.774 2.43 . . . . 0.0 114.564 168.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.4 mtm-85 -59.84 -50.06 75.29 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.286 20.2 p90 -78.66 -27.74 45.3 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.8 -1.812 . . . . 0.0 113.776 -176.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.9 -50.41 73.88 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.83 -1.169 . . . . 0.0 112.706 177.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.99 -16.81 57.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.728 -1.232 . . . . 0.0 114.287 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 43.9 ttp -71.7 -56.3 6.07 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.929 -1.107 . . . . 0.0 111.901 169.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -82.13 -51.64 7.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 120.554 -1.341 . . . . 0.0 113.931 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.2 m -109.45 106.08 15.69 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.908 0.861 . . . . 0.0 111.329 -158.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -120.2 166.07 13.96 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 122.933 1.349 . . . . 0.0 113.524 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.358 0.969 0 C-N-CA 128.059 2.544 . . . . 0.0 111.349 -167.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 121.144 0.497 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.08 -42.86 80.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 O-C-N 120.012 -1.68 . . . . 0.0 113.19 165.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.87 -55.05 37.59 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.617 -1.302 . . . . 0.0 113.473 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -80.13 -17.57 52.18 Favored 'General case' 0 C--N 1.363 1.177 0 O-C-N 119.592 -1.943 . . . . 0.0 110.775 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 117.79 -22.25 10.04 Favored Glycine 0 C--N 1.355 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 112.746 161.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.06 144.96 38.21 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -168.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 22.2 p -82.35 158.72 23.27 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 113.157 -1.838 . . . . 0.0 112.421 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -62.2 -11.1 12.77 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 119.533 -1.98 . . . . 0.0 114.54 170.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 35.1 ttm-85 -82.03 -25.56 34.54 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.385 -1.447 . . . . 0.0 110.444 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -69.26 -42.22 75.85 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.354 1.462 . . . . 0.0 111.203 174.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.65 -22.46 65.32 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 121.172 -0.955 . . . . 0.0 112.623 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -66.93 -63.21 1.11 Allowed 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 122.641 1.21 . . . . 0.0 111.22 167.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.24 -27.54 42.93 Favored 'Isoleucine or valine' 0 C--N 1.36 1.063 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -170.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.72 -55.29 28.04 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 124.597 1.159 . . . . 0.0 111.381 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -56.18 -41.36 75.37 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.303 1.841 . . . . 0.0 112.804 170.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 28.2 mtt -73.94 -69.57 0.43 Allowed 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 119.323 -2.111 . . . . 0.0 114.331 177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -97.59 -28.18 14.06 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.537 1.135 . . . . 0.0 113.897 -159.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -88.35 -26.92 21.97 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.343 1.428 . . . . 0.0 110.36 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 84.79 35.03 13.87 Favored Glycine 0 C--N 1.35 1.33 0 O-C-N 120.86 -1.15 . . . . 0.0 114.465 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 24.6 mt -109.77 112.21 39.5 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 169.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -96.28 91.65 5.98 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 122.873 1.321 . . . . 0.0 107.947 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -114.31 49.7 1.0 Allowed 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 120.886 -1.133 . . . . 0.0 109.683 -169.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -96.83 46.48 1.05 Allowed 'General case' 0 C--N 1.349 0.548 0 O-C-N 119.172 -2.205 . . . . 0.0 111.606 -161.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 5.7 t -173.0 173.61 3.67 Favored 'General case' 0 CA--C 1.507 -0.676 0 O-C-N 120.099 -1.626 . . . . 0.0 107.585 -152.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -70.3 137.41 50.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 115.284 -169.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -129.19 127.63 41.71 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.442 162.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 74.4 p -72.16 163.03 28.61 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 124.747 1.219 . . . . 0.0 110.956 164.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.0 -31.2 68.59 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 118.065 2.617 . . . . 0.0 118.065 -166.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -69.85 -44.95 68.82 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.622 -1.299 . . . . 0.0 111.341 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.62 -41.96 98.21 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 127.376 2.27 . . . . 0.0 113.804 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 57.9 t -49.7 -46.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.809 0 C-N-CA 126.013 1.725 . . . . 0.0 111.403 166.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -64.14 -37.53 94.69 Favored Glycine 0 C--N 1.345 1.082 0 O-C-N 121.286 -0.884 . . . . 0.0 113.691 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -71.01 -39.73 72.22 Favored 'General case' 0 C--N 1.371 1.504 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -176.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -41.35 72.17 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 129.25 3.02 . . . . 0.0 111.827 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.31 -58.3 6.91 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 127.201 2.2 . . . . 0.0 111.96 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.05 -53.42 50.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 116.963 2.208 . . . . 0.0 116.963 165.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 74.8 t -50.45 -58.91 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.599 0 C-N-CA 125.56 1.544 . . . . 0.0 112.747 172.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 32.4 m -48.66 -43.51 36.78 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.312 -2.117 . . . . 0.0 115.245 166.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 56.8 ttp85 -64.89 -46.03 83.45 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 123.517 1.627 . . . . 0.0 109.607 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -60.37 -37.51 80.95 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 125.848 1.659 . . . . 0.0 111.53 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -65.55 -30.04 70.74 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 119.404 -2.06 . . . . 0.0 112.026 173.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 76.7 mt -70.71 -46.3 69.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 118.966 -2.334 . . . . 0.0 111.783 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 39.8 tpt85 -42.36 -46.48 4.65 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 119.158 3.022 . . . . 0.0 119.158 152.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -64.19 -41.92 96.87 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 119.328 -2.108 . . . . 0.0 114.082 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -56.08 -42.06 70.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 119.894 -1.754 . . . . 0.0 113.695 167.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -55.46 -55.6 29.83 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.272 2.229 . . . . 0.0 111.632 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.76 71.94 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 126.947 2.099 . . . . 0.0 113.855 173.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -66.23 -47.64 73.15 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.677 -1.264 . . . . 0.0 110.87 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.02 -33.6 69.14 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 174.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 24.8 mt -75.07 -13.28 60.47 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 120.18 -1.575 . . . . 0.0 112.853 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -87.38 -28.61 22.08 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 126.829 2.051 . . . . 0.0 109.187 170.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -69.22 -29.33 67.26 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 119.42 -2.05 . . . . 0.0 114.283 165.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.7 tp -89.55 94.87 10.03 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-O 123.262 1.506 . . . . 0.0 110.446 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -83.89 -28.25 28.06 Favored 'General case' 0 N--CA 1.441 -0.923 0 O-C-N 119.267 -2.146 . . . . 0.0 114.606 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -81.15 119.05 74.83 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 121.015 -1.053 . . . . 0.0 110.545 174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -79.32 163.7 24.67 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.305 2.003 . . . . 0.0 113.954 -165.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 53.8 p -160.39 -44.85 0.05 OUTLIER 'General case' 0 C--N 1.349 0.566 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -76.45 131.7 39.2 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 121.082 -1.011 . . . . 0.0 109.224 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 57.8 m -101.88 -44.82 5.39 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 120.914 -1.116 . . . . 0.0 108.411 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -43.77 87.26 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.788 1 C-N-CA 132.177 4.191 . . . . 0.0 118.51 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 40.5 t -136.82 108.5 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 O-C-N 120.091 -1.631 . . . . 0.0 107.968 167.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.43 102.77 11.11 Favored 'General case' 0 C--N 1.367 1.345 0 O-C-N 120.086 -1.634 . . . . 0.0 106.705 154.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -151.17 -69.6 0.17 Allowed 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 6.3 m -35.95 -62.58 0.42 Allowed 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 130.501 3.52 . . . . 0.0 118.23 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -127.41 -83.83 0.6 Allowed 'General case' 0 C--N 1.348 0.531 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 171.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -12.04 126.13 0.01 OUTLIER 'General case' 0 C--N 1.368 1.397 0 C-N-CA 129.941 3.296 . . . . 0.0 116.49 164.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . 0.358 14.7 m-20 25.63 -94.98 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 131.228 3.811 . . . . 0.0 119.022 -173.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 N--CA 1.439 -0.996 0 O-C-N 120.086 -1.633 . . . . 0.0 110.433 -176.181 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.6 m120 . . . . . 0 N--CA 1.441 -0.925 0 CA-C-O 123.68 1.705 . . . . 0.0 107.744 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -95.09 134.52 37.71 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 125.41 1.484 . . . . 0.0 110.774 175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -101.08 -30.84 11.37 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -164.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.8 mm -66.47 -24.97 34.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 123.882 0.873 . . . . 0.0 112.585 -160.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -52.82 63.81 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.454 1.501 . . . . 0.0 113.392 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 m -72.8 -34.18 66.74 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.259 -1.526 . . . . 0.0 111.981 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.86 -45.15 62.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.917 -0.489 . . . . 0.0 111.407 166.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -56.32 -43.96 79.49 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 119.709 -1.869 . . . . 0.0 114.856 165.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.08 -62.11 1.87 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.756 1.616 . . . . 0.0 113.082 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.9 mt -43.39 -48.66 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.881 0 C-N-CA 128.029 2.532 . . . . 0.0 114.155 172.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.33 -52.18 63.21 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 124.16 0.984 . . . . 0.0 110.492 175.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.1 m -61.1 -54.67 41.69 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.802 -1.186 . . . . 0.0 112.801 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.9 -33.33 60.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 O-C-N 120.925 -1.109 . . . . 0.0 112.343 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.82 -28.75 67.84 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.054 -1.654 . . . . 0.0 114.27 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -69.9 -47.37 62.78 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-O 123.0 1.381 . . . . 0.0 108.1 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.5 mt -31.79 -66.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 129.09 2.956 . . . . 0.0 115.439 157.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -47.08 -54.68 9.84 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.177 1.942 . . . . 0.0 112.866 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.3 mm -55.59 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 C-N-CA 128.963 2.905 . . . . 0.0 111.49 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -83.77 -32.23 25.52 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.5 -2.0 . . . . 0.0 113.844 -166.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.41 -67.32 0.59 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.199 1.0 . . . . 0.0 112.032 174.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.1 m -104.11 -18.3 14.58 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.6 -0.687 . . . . 0.0 112.234 -162.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 76.71 -175.59 0.11 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 126.021 1.728 . . . . 0.0 115.007 164.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 55.1 mp0 -42.23 -8.11 0.01 OUTLIER 'General case' 0 C--N 1.353 0.735 0 C-N-CA 129.621 3.169 . . . . 0.0 117.518 167.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -71.31 -49.43 42.77 Favored 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 125.76 1.624 . . . . 0.0 111.558 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.12 -52.85 11.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 O-C-N 119.402 -2.061 . . . . 0.0 109.606 172.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.537 ' HB ' ' HA ' ' A' ' 24' ' ' GLU . 72.5 t -36.63 -40.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 130.253 3.421 . . . . 0.0 116.99 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -50.47 -33.21 20.36 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.862 1.265 . . . . 0.0 113.735 175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -89.3 104.78 17.3 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 120.527 -1.358 . . . . 0.0 109.06 -164.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -51.43 -52.59 44.87 Favored 'General case' 0 C--N 1.343 0.303 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.51 -50.59 69.57 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 125.358 1.463 . . . . 0.0 113.607 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -57.77 -41.26 81.64 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 127.132 2.173 . . . . 0.0 113.461 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -59.94 -53.14 61.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.798 -1.188 . . . . 0.0 112.603 -175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.27 -34.96 56.01 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 O-C-N 120.884 -1.135 . . . . 0.0 108.589 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -22.86 15.61 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -35.46 63.72 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.193 1.397 . . . . 0.0 110.34 174.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.46 -45.72 75.13 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-O 123.098 1.428 . . . . 0.0 109.709 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -74.21 18.77 0.14 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.374 1.47 . . . . 0.0 114.366 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -49.96 4.02 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 127.481 2.312 . . . . 0.0 108.033 176.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.7 pt -98.97 2.14 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 125.928 1.691 . . . . 0.0 109.828 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.37 52.52 12.81 Favored Glycine 0 C--N 1.35 1.345 0 C-N-CA 124.921 1.248 . . . . 0.0 115.161 170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.11 79.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.541 0 CA-C-N 118.522 1.161 . . . . 0.0 109.682 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -97.48 122.29 40.36 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.617 -1.302 . . . . 0.0 113.167 -170.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -90.59 138.01 31.9 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.057 -2.277 . . . . 0.0 111.305 170.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 46.92 36.68 4.17 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.554 1.942 . . . . 0.0 113.442 -173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.93 -0.44 72.27 Favored Glycine 0 C--N 1.345 1.032 0 C-N-CA 125.872 1.701 . . . . 0.0 115.427 176.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -115.58 154.9 28.58 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 121.481 -1.011 . . . . 0.0 110.4 -171.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -77.48 127.68 32.93 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 120.005 -1.685 . . . . 0.0 110.726 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 83.01 5.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.099 -1.626 . . . . 0.0 115.012 -168.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -74.7 171.99 12.92 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 120.46 -1.4 . . . . 0.0 111.024 167.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -40.93 -46.12 2.72 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 118.051 2.612 . . . . 0.0 118.051 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -47.81 -63.92 0.93 Allowed 'General case' 0 C--N 1.351 0.65 0 C-N-CA 125.95 1.7 . . . . 0.0 115.096 166.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -66.77 -33.22 75.15 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 125.044 1.338 . . . . 0.0 112.104 -176.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -63.58 -51.95 63.08 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.737 1.615 . . . . 0.0 111.912 174.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 119.999 -1.688 . . . . 0.0 112.622 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -53.09 -49.68 65.95 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.053 1.341 . . . . 0.0 113.987 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.66 -25.32 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.82 -1.175 . . . . 0.0 113.628 -173.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 36.0 t -87.02 -38.03 11.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 C-N-CA 128.195 2.598 . . . . 0.0 112.105 174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -56.52 -61.45 2.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.876 1.67 . . . . 0.0 115.137 164.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -89.94 72.3 7.48 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.71 135.58 54.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 -177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.5 m -79.5 152.56 30.14 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.635 1.574 . . . . 0.0 109.993 -170.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.58 -58.6 3.51 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 117.449 2.389 . . . . 0.0 117.449 -165.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.04 -50.74 61.02 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 118.781 -2.449 . . . . 0.0 113.349 -177.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.318 45.9 m-20 -21.08 -68.37 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 120.044 3.35 . . . . 0.0 120.044 150.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -58.31 -34.92 71.1 Favored 'General case' 0 C--N 1.357 0.919 0 O-C-N 119.809 -1.807 . . . . 0.0 114.709 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -77.95 -37.89 46.56 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 124.972 1.309 . . . . 0.0 109.545 -175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.0 m -52.22 -51.34 58.87 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 127.387 2.275 . . . . 0.0 112.288 163.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.53 -55.99 26.87 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.749 -1.22 . . . . 0.0 113.327 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.9 mt -45.72 -43.08 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.284 1.434 . . . . 0.0 113.229 168.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.07 -29.98 69.9 Favored 'General case' 0 C--N 1.349 0.587 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -81.64 -74.39 0.34 Allowed 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.17 1.388 . . . . 0.0 109.963 171.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -86.44 82.13 8.07 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 127.915 2.486 . . . . 0.0 109.309 -175.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -73.59 -52.51 13.22 Favored 'General case' 0 C--N 1.345 0.4 0 O-C-N 119.939 -1.725 . . . . 0.0 110.396 -173.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.86 -35.27 62.34 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.983 -1.073 . . . . 0.0 110.314 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.71 91.78 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 115.146 0.819 . . . . 0.0 115.146 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -68.17 -59.35 3.29 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 119.185 1.493 . . . . 0.0 111.454 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -62.84 -30.91 71.85 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 123.587 0.755 . . . . 0.0 111.924 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.03 -57.79 17.96 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.982 1.277 . . . . 0.0 113.586 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.92 -36.46 57.88 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 O-C-N 120.674 -1.486 . . . . 0.0 113.645 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -48.59 -65.75 0.52 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -71.17 -30.88 66.97 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -166.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.27 -40.21 81.96 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 119.722 1.146 . . . . 0.0 111.51 172.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.24 -53.47 43.88 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 125.643 1.577 . . . . 0.0 112.184 -172.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -63.19 -24.2 67.77 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -83.27 -50.68 8.15 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.347 1.459 . . . . 0.0 112.251 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -70.0 -50.45 41.5 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -175.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.0 p -89.36 97.97 11.5 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.701 1.137 . . . . 0.0 108.364 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -93.59 96.41 9.83 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.646 -1.283 . . . . 0.0 110.052 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.8 pttm . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.908 -1.12 . . . . 0.0 112.299 -177.158 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 121.112 0.482 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 41.9 t -53.65 -47.9 60.69 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 113.101 173.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.13 -53.12 61.89 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 126.907 2.083 . . . . 0.0 113.717 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.17 -44.08 26.88 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 121.143 -0.973 . . . . 0.0 110.9 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 134.88 -18.64 4.02 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 115.621 1.008 . . . . 0.0 115.621 165.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.71 134.78 34.34 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.38 1.59 . . . . 0.0 110.278 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 60.7 p -69.63 167.73 16.32 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 116.73 2.122 . . . . 0.0 116.73 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -48.79 -35.66 14.9 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 126.022 1.729 . . . . 0.0 115.454 158.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -63.52 -48.97 75.38 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 123.466 1.603 . . . . 0.0 111.226 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 128.085 2.554 . . . . 0.0 111.224 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -64.7 -26.9 68.57 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.364 1.465 . . . . 0.0 113.573 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.21 -46.51 41.41 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 120.67 -1.269 . . . . 0.0 110.335 170.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 39.6 t -54.8 -37.85 42.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 O-C-N 119.15 -2.218 . . . . 0.0 113.637 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 82.5 mt -53.85 -53.88 46.36 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.053 1.741 . . . . 0.0 113.455 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -82.92 -3.85 57.49 Favored 'General case' 0 C--N 1.342 0.267 0 O-C-N 120.197 -1.564 . . . . 0.0 114.242 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 64.7 mtm -89.17 -68.22 0.79 Allowed 'General case' 0 C--N 1.351 0.647 0 O-C-N 119.991 -1.693 . . . . 0.0 112.44 167.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -99.98 -36.38 9.4 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.313 -1.492 . . . . 0.0 112.796 -166.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -76.56 -19.24 58.1 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.869 -1.144 . . . . 0.0 109.312 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.2 30.41 71.78 Favored Glycine 0 CA--C 1.49 -1.477 0 C-N-CA 125.362 1.458 . . . . 0.0 115.728 169.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -97.75 123.65 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 172.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -86.06 98.31 10.79 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.312 -0.868 . . . . 0.0 109.317 -170.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.1 ptp -118.43 133.29 56.0 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 173.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.2 p30 176.2 -49.34 0.01 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.471 1.487 . . . . 0.0 111.598 -174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -175.3 5.01 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 120.371 -1.455 . . . . 0.0 109.672 173.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.06 119.1 12.13 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-O 122.15 0.976 . . . . 0.0 112.194 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -110.86 131.77 54.77 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 170.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 3.0 m -71.02 150.33 45.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 124.469 1.108 . . . . 0.0 109.355 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 14.9 tp -58.33 -24.94 61.22 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 119.464 -2.022 . . . . 0.0 114.928 -174.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.09 -48.88 74.46 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.094 -1.629 . . . . 0.0 113.589 163.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.6 -39.13 91.22 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.534 1.534 . . . . 0.0 113.782 175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.0 t -53.6 -46.41 60.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 125.541 1.536 . . . . 0.0 112.182 168.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.28 -44.07 96.78 Favored Glycine 0 C--N 1.35 1.313 0 O-C-N 121.097 -1.002 . . . . 0.0 113.799 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 2.7 tpmt? -73.36 -25.13 60.46 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.162 0.982 . . . . 0.0 110.999 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -70.81 -23.99 62.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 O-C-N 119.394 -2.066 . . . . 0.0 112.7 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -74.32 -63.72 1.17 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 125.002 1.321 . . . . 0.0 112.57 172.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -16.76 -65.3 0.01 OUTLIER 'General case' 0 C--N 1.354 0.791 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 147.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.15 -58.99 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.42 1.488 . . . . 0.0 112.442 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 27.2 m -44.49 -47.49 10.04 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 117.626 2.454 . . . . 0.0 117.626 167.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -69.65 -37.91 76.93 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.46 -2.025 . . . . 0.0 111.84 -178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -56.76 -49.54 74.96 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 125.37 1.468 . . . . 0.0 112.199 165.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.6 tpp85 -55.07 -39.58 69.4 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 120.5 -1.375 . . . . 0.0 113.767 177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . 0.414 ' HA ' HD12 ' B' ' 590' ' ' ILE . 90.1 mt -59.11 -38.84 76.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 O-C-N 121.013 -1.055 . . . . 0.0 112.164 173.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -73.49 -17.13 61.26 Favored 'General case' 0 C--N 1.363 1.163 0 CA-C-N 121.69 2.041 . . . . 0.0 110.371 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -78.47 -38.13 41.81 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 124.721 1.208 . . . . 0.0 112.256 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' B' ' 587' ' ' ILE . 91.6 mt -54.57 -50.11 61.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 120.329 -1.482 . . . . 0.0 112.769 168.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.42 -55.83 19.1 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 129.624 3.17 . . . . 0.0 112.235 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -45.76 -44.49 13.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.637 1.975 . . . . 0.0 114.693 172.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -81.64 -42.4 20.05 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.139 -0.975 . . . . 0.0 112.387 -177.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.28 76.25 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 125.305 1.442 . . . . 0.0 113.989 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.61 -0.89 16.7 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 171.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -98.35 -25.6 14.77 Favored 'General case' 0 C--N 1.341 0.226 0 O-C-N 119.888 -1.758 . . . . 0.0 109.208 172.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -69.93 -23.45 63.21 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 170.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.29 -179.12 6.06 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 124.308 1.043 . . . . 0.0 110.02 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -164.44 -36.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.2 -0.937 . . . . 0.0 112.828 -164.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -73.69 157.61 87.29 Favored Pre-proline 0 C--N 1.351 0.657 0 O-C-N 120.234 -1.541 . . . . 0.0 111.424 175.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -65.13 157.02 59.66 Favored 'Trans proline' 0 C--N 1.332 -0.319 0 CA-C-N 122.473 1.919 . . . . 0.0 115.369 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 47.6 t -147.06 -79.34 0.16 Allowed 'General case' 0 CA--C 1.514 -0.415 0 C-N-CA 124.078 0.951 . . . . 0.0 108.627 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -104.12 115.54 30.6 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 68.8 m -110.05 -21.67 12.19 Favored 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 120.889 -1.132 . . . . 0.0 113.217 -162.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -78.83 157.09 28.44 Favored 'General case' 0 C--N 1.344 0.344 0 O-C-N 120.571 -1.331 . . . . 0.0 112.079 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 20.3 t -85.63 117.89 31.36 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 O-C-N 120.465 -1.397 . . . . 0.0 110.053 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 64.4 mt -91.57 -166.81 1.65 Allowed 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.684 -1.26 . . . . 0.0 111.61 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -78.77 70.22 5.08 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 119.479 -2.013 . . . . 0.0 113.316 174.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 8.1 t -102.94 -121.69 0.19 Allowed 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 120.862 -1.149 . . . . 0.0 108.53 170.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -29.65 -63.72 0.12 Allowed 'General case' 0 C--N 1.358 0.973 0 C-N-CA 128.664 2.786 . . . . 0.0 116.502 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.13 -27.93 48.99 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 127.832 2.453 . . . . 0.0 116.352 -172.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -107.48 -136.07 0.36 Allowed 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 126.853 2.061 . . . . 0.0 110.866 -170.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 37.8 p30 . . . . . 0 N--CA 1.443 -0.801 0 O-C-N 119.954 -1.716 . . . . 0.0 109.371 174.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 . . . . . 0 N--CA 1.43 -1.453 0 CA-C-O 122.829 1.3 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -141.8 127.63 19.33 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 165.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -67.73 -39.12 84.32 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 119.056 -2.277 . . . . 0.0 113.575 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.442 HD13 ' HB3' ' A' ' 65' ' ' ASP . 9.1 tp -65.74 -35.08 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.05 -46.22 71.88 Favored 'General case' 0 N--CA 1.429 -1.499 1 C-N-CA 131.749 4.02 . . . . 0.0 110.154 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.3 m -78.87 -35.3 44.01 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 127.275 2.23 . . . . 0.0 112.656 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.9 t -63.92 -45.23 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 O-C-N 120.004 -1.685 . . . . 0.0 111.778 169.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -52.16 -37.42 54.49 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 118.872 -2.392 . . . . 0.0 116.766 167.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.95 -51.43 58.63 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 mp -53.47 -44.73 56.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 126.937 2.095 . . . . 0.0 111.678 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.8 mt -60.52 -50.49 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 118.724 -2.485 . . . . 0.0 114.225 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 m -66.82 -40.95 88.18 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -167.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.68 -33.58 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.496 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.17 66.67 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 120.304 -1.498 . . . . 0.0 113.826 174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -55.0 -54.57 41.33 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 118.661 -2.524 . . . . 0.0 113.186 168.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.4 mt -47.7 -39.66 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.94 -36.09 79.52 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.872 -1.767 . . . . 0.0 113.4 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.6 mm -68.71 -29.1 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 O-C-N 117.587 -3.195 . . . . 0.0 109.937 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -70.61 -53.98 13.79 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.58 -1.325 . . . . 0.0 113.079 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -82.18 -43.95 17.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -169.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.6 m -110.93 -33.28 6.56 Favored 'General case' 0 N--CA 1.431 -1.398 0 O-C-N 119.383 -2.073 . . . . 0.0 113.61 -176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.26 39.5 mtm180 84.92 -144.35 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.108 2.963 . . . . 0.0 113.976 -174.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -71.6 -19.84 62.07 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.328 -2.732 . . . . 0.0 116.973 -167.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -54.53 -37.9 65.94 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 129.178 2.991 . . . . 0.0 115.898 -171.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.8 mt -76.26 -46.49 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 O-C-N 119.611 -1.931 . . . . 0.0 111.387 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -19.57 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 O-C-N 119.938 -1.727 . . . . 0.0 112.009 -172.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -61.22 -40.81 95.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.94 2.496 . . . . 0.0 111.103 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -92.62 140.87 29.1 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 122.733 1.254 . . . . 0.0 110.515 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -78.69 -40.14 34.66 Favored 'General case' 0 N--CA 1.43 -1.428 1 O-C-N 116.275 -4.016 . . . . 0.0 111.356 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.53 -58.26 9.37 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.09 -44.16 87.46 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -174.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -64.67 -35.08 79.89 Favored 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.0 mt -72.19 -43.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 O-C-N 118.91 -2.369 . . . . 0.0 110.187 173.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.06 -42.14 27.76 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 127.676 2.39 . . . . 0.0 115.851 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.12 -50.26 74.73 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 124.985 1.314 . . . . 0.0 114.453 171.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.69 -39.5 91.68 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 123.517 1.627 . . . . 0.0 114.04 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -33.81 71.63 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.917 -1.114 . . . . 0.0 113.821 175.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -54.41 -58.48 7.28 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 119.71 -1.869 . . . . 0.0 115.123 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 pt -75.68 -28.87 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 119.801 -1.812 . . . . 0.0 113.106 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.91 65.72 1.09 Allowed Glycine 0 N--CA 1.43 -1.712 0 CA-C-N 120.578 1.535 . . . . 0.0 113.284 165.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.2 148.21 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 166.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -156.42 142.42 18.05 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 21.5 t60 -136.95 128.81 29.08 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.858 2.063 . . . . 0.0 107.61 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 52.36 32.09 10.55 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 128.047 2.539 . . . . 0.0 117.152 -170.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.44 -10.54 66.5 Favored Glycine 0 N--CA 1.43 -1.725 0 O-C-N 118.407 -2.683 . . . . 0.0 112.103 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -102.44 128.59 48.98 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 124.206 1.955 . . . . 0.0 112.292 -175.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -79.08 135.14 36.77 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 118.459 -2.65 . . . . 0.0 113.154 171.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD13 ' H ' ' A' ' 49' ' ' LEU 0.472 0.0 OUTLIER -75.52 96.83 3.57 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 117.469 2.396 . . . . 0.0 117.469 -166.544 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -77.9 177.48 8.2 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.42 -1.425 . . . . 0.0 110.851 171.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -33.4 -54.55 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 130.952 3.701 . . . . 0.0 115.654 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -61.43 -50.46 72.72 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.783 2.033 . . . . 0.0 114.0 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -70.97 -32.81 69.78 Favored 'General case' 0 N--CA 1.429 -1.513 0 C-N-CA 127.691 2.396 . . . . 0.0 110.891 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -61.23 -54.44 44.17 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.413 2.285 . . . . 0.0 110.175 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -67.33 -26.75 66.66 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 125.895 1.678 . . . . 0.0 113.854 177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -66.36 -67.33 0.46 Allowed 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.765 1.226 . . . . 0.0 111.095 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.2 tt -66.16 -32.21 57.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -167.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.91 -18.55 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 O-C-N 120.258 -1.527 . . . . 0.0 112.585 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.2 t -99.53 -45.17 5.9 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.605 1.705 . . . . 0.0 115.605 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.71 -10.77 60.16 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 118.937 2.94 . . . . 0.0 118.937 -171.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.24 159.83 30.44 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . 0.255 20.5 p -76.38 174.84 9.75 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.313 -2.117 . . . . 0.0 114.141 -166.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -53.14 -49.67 66.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.602 3.161 . . . . 0.0 112.999 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -73.8 -39.67 63.96 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.341 2.256 . . . . 0.0 111.968 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' HB3' HD13 ' A' ' 5' ' ' ILE . 71.7 m-20 -51.0 -58.76 5.23 Favored 'General case' 0 N--CA 1.43 -1.475 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 174.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -68.34 -36.26 78.99 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.939 -1.725 . . . . 0.0 109.526 -178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -59.9 -45.32 92.92 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 120.02 -1.675 . . . . 0.0 113.901 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.5 m -56.02 -45.45 79.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 124.726 2.203 . . . . 0.0 113.278 173.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.84 -43.61 83.25 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.327 -2.108 . . . . 0.0 111.98 -177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -62.42 -52.74 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 124.644 1.178 . . . . 0.0 112.999 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -63.52 -20.58 65.73 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -174.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -89.09 -64.76 1.1 Allowed 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.409 1.084 . . . . 0.0 112.351 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -118.58 96.92 5.49 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.991 -1.693 . . . . 0.0 107.98 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.75 -56.0 9.47 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.568 1.147 . . . . 0.0 111.769 -177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.23 -35.44 80.34 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.994 -1.691 . . . . 0.0 113.836 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.71 -52.95 49.28 Favored Glycine 0 N--CA 1.43 -1.74 0 C-N-CA 125.807 1.67 . . . . 0.0 113.751 175.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -60.89 -60.83 3.17 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.826 -1.985 . . . . 0.0 113.267 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.67 -40.1 59.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 117.659 2.466 . . . . 0.0 117.659 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.28 -52.3 27.8 Favored Glycine 0 N--CA 1.429 -1.785 0 C-N-CA 125.586 1.565 . . . . 0.0 111.917 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.5 t -59.63 -46.67 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 C-N-CA 125.666 1.587 . . . . 0.0 111.038 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -54.12 -50.13 67.6 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 125.837 1.655 . . . . 0.0 114.892 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -67.44 -41.84 84.09 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -71.48 -29.73 65.16 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.616 -1.302 . . . . 0.0 112.875 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.3 mt -54.93 -50.67 68.28 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.535 -2.603 . . . . 0.0 113.288 166.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -74.71 -28.27 60.73 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.267 -2.146 . . . . 0.0 113.366 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 29.8 tpp -68.27 -53.35 25.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.758 1.266 . . . . 0.0 112.313 175.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -108.17 -44.81 4.07 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.106 -2.246 . . . . 0.0 112.795 -170.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.2 m -89.33 96.98 10.94 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.899 -1.751 . . . . 0.0 111.339 -154.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -106.35 163.35 12.9 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 119.496 3.147 . . . . 0.0 119.496 -165.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 N--CA 1.43 -1.468 0 O-C-N 120.161 -1.587 . . . . 0.0 111.058 -178.718 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 . . . . . 0 N--CA 1.43 -1.458 0 CA-C-O 120.611 0.243 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 79.9 t -70.21 -36.1 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.412 0 O-C-N 121.062 -1.024 . . . . 0.0 111.952 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 84.5 mt -72.23 -49.43 35.27 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.359 -1.463 . . . . 0.0 111.3 172.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -65.26 -59.63 3.85 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -175.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.66 -24.7 9.47 Favored Glycine 0 N--CA 1.43 -1.715 0 C-N-CA 123.836 0.731 . . . . 0.0 111.389 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.55 142.01 36.12 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 166.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.37 162.66 14.17 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.652 -1.28 . . . . 0.0 111.381 175.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.84 -22.3 14.07 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 118.569 -2.582 . . . . 0.0 115.746 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -76.46 -27.04 55.99 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 170.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -78.17 -35.88 48.18 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.61 -2.556 . . . . 0.0 106.366 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.77 -34.47 74.52 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 167.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -56.62 -47.2 80.17 Favored 'General case' 0 N--CA 1.43 -1.463 0 CA-C-O 124.614 2.149 . . . . 0.0 113.416 172.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.54 -40.55 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 O-C-N 117.554 -3.216 . . . . 0.0 114.445 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.5 -32.91 69.25 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -81.77 -45.78 15.15 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.067 -1.646 . . . . 0.0 115.213 170.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 60.2 mtm -60.25 -52.9 63.32 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.983 -1.698 . . . . 0.0 114.078 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -104.14 -55.93 2.28 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -170.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -64.74 -40.28 95.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 127.105 2.162 . . . . 0.0 110.73 -177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.26 54.28 2.31 Favored Glycine 0 N--CA 1.43 -1.764 0 C-N-CA 126.071 1.796 . . . . 0.0 111.493 165.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.6 mt -119.71 134.42 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.05 104.23 14.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 C-N-CA 123.343 0.657 . . . . 0.0 110.13 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -141.04 67.43 1.35 Allowed 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.47 -1.394 . . . . 0.0 110.442 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.7 -3.51 17.79 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 118.13 -2.856 . . . . 0.0 116.243 -171.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . 0.263 4.4 m -97.41 -107.48 0.17 Allowed 'General case' 0 N--CA 1.429 -1.482 0 CA-C-O 122.291 1.043 . . . . 0.0 113.528 -165.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -110.72 150.12 29.51 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.61 -1.931 . . . . 0.0 110.6 -173.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . 0.413 ' HB3' HG23 ' B' ' 576' ' ' VAL . 9.7 m-85 -136.27 139.69 42.86 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.586 -1.946 . . . . 0.0 108.514 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 33.0 p -104.11 179.08 4.37 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 126.495 1.918 . . . . 0.0 109.195 156.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 69.1 mt -64.31 -45.11 89.34 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 119.703 -1.873 . . . . 0.0 110.163 176.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -55.58 -47.7 76.01 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 171.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -65.09 -32.52 74.26 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.792 -1.817 . . . . 0.0 114.146 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' B' ' 571' ' ' TYR . 86.9 t -62.18 -46.03 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 CA-C-N 122.686 2.494 . . . . 0.0 111.826 166.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.85 -35.96 91.53 Favored Glycine 0 N--CA 1.431 -1.7 0 O-C-N 118.876 -2.39 . . . . 0.0 113.929 175.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.93 -54.73 41.45 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.425 -2.22 . . . . 0.0 113.208 173.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.65 -28.13 69.7 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -57.21 -59.08 5.64 Favored 'General case' 0 N--CA 1.43 -1.473 0 O-C-N 119.749 -1.844 . . . . 0.0 111.285 169.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.79 -30.72 71.74 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 25.3 t -62.06 -51.2 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 168.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 81.1 m -59.56 -44.04 93.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.438 1.895 . . . . 0.0 112.05 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -55.77 -46.67 77.86 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.403 1.881 . . . . 0.0 114.52 172.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -69.59 -30.72 68.55 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 118.092 -2.88 . . . . 0.0 114.69 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -64.52 -37.75 88.63 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.458 1.123 . . . . 0.0 111.676 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 65.0 mt -57.17 -47.17 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 124.836 1.254 . . . . 0.0 112.403 171.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -70.84 -28.66 64.76 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -62.74 -40.63 97.83 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.224 -1.547 . . . . 0.0 112.231 165.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.38 -49.37 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 O-C-N 119.301 -2.124 . . . . 0.0 111.284 173.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -53.77 -51.42 63.47 Favored 'General case' 0 N--CA 1.429 -1.498 0 C-N-CA 127.802 2.441 . . . . 0.0 115.213 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -48.92 -56.04 10.0 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 126.603 1.961 . . . . 0.0 114.119 169.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -64.5 -42.72 95.67 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.998 1.319 . . . . 0.0 113.764 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -61.72 -38.49 88.09 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.33 -37.06 82.69 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 126.05 1.74 . . . . 0.0 112.262 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -65.86 -38.82 89.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 117.621 -3.174 . . . . 0.0 114.042 169.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -68.28 -31.72 71.37 Favored 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 126.864 2.066 . . . . 0.0 116.025 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 30.2 tp -79.28 95.57 5.71 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.437 -2.039 . . . . 0.0 111.254 169.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -74.8 -3.72 33.45 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 118.012 2.597 . . . . 0.0 118.012 -161.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -95.99 138.84 21.63 Favored Pre-proline 0 N--CA 1.431 -1.418 0 CA-C-O 115.99 -1.957 . . . . 0.0 106.216 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.21 156.58 61.83 Favored 'Trans proline' 0 N--CA 1.434 -1.994 0 C-N-CA 124.177 3.251 . . . . 0.0 109.768 -158.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 53.2 p -140.09 -177.77 5.15 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.857 2.063 . . . . 0.0 110.828 -168.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 23.7 mtt-85 -86.11 103.27 14.61 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 117.889 -3.007 . . . . 0.0 109.405 161.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 67.2 m -69.32 -24.2 63.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-O 122.998 1.38 . . . . 0.0 111.131 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -160.93 150.18 16.86 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.164 2.986 . . . . 0.0 105.726 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 49.1 t -117.23 112.68 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 157.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . 0.629 HD22 ' H ' ' B' ' 607' ' ' LEU 0.342 2.3 mm? 6.32 -138.33 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.431 1 C-N-CA 132.917 4.487 . . . . 0.0 119.407 -157.094 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -141.86 -122.75 0.1 Allowed 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.212 -2.18 . . . . 0.0 107.778 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 81.0 p -86.49 -1.12 57.33 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.028 -1.67 . . . . 0.0 109.989 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -60.29 -24.83 65.26 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 130.237 3.415 . . . . 0.0 115.099 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' B' ' 607' ' ' LEU . 0.9 OUTLIER -77.36 -87.89 0.05 OUTLIER 'General case' 0 N--CA 1.429 -1.517 0 O-C-N 120.187 -1.571 . . . . 0.0 108.781 178.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -114.19 128.64 56.46 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.634 -1.291 . . . . 0.0 111.727 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 N--CA 1.429 -1.499 0 O-C-N 120.055 -1.653 . . . . 0.0 110.526 -176.066 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 122.608 1.194 . . . . 0.0 108.44 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -113.73 111.92 22.59 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.989 1.716 . . . . 0.0 110.256 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -74.31 -41.72 60.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.752 -1.217 . . . . 0.0 111.038 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.643 HD13 HD21 ' A' ' 61' ' ' LEU . 10.7 tp -61.45 -22.39 27.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 C-N-CA 124.789 1.235 . . . . 0.0 114.275 -177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.64 -50.61 72.58 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 126.499 1.92 . . . . 0.0 111.345 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.7 m -65.88 -43.1 89.33 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.506 -1.371 . . . . 0.0 112.095 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.39 -48.52 56.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 C-N-CA 123.377 0.671 . . . . 0.0 112.407 176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -50.4 -44.29 54.97 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.457 -1.402 . . . . 0.0 114.654 169.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -59.75 -59.6 5.18 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.624 -1.297 . . . . 0.0 113.223 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.14 -47.71 5.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 C-N-CA 126.36 1.864 . . . . 0.0 112.768 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -72.1 -42.11 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.218 0 O-C-N 121.358 -0.839 . . . . 0.0 111.488 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.9 m -53.7 -52.34 60.39 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.56 -1.337 . . . . 0.0 113.08 171.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -71.73 -31.08 40.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 O-C-N 120.364 -1.46 . . . . 0.0 112.695 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.71 64.32 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 119.871 -1.768 . . . . 0.0 112.892 174.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.9 m -72.98 -51.32 18.79 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.748 1.737 . . . . 0.0 107.33 -172.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 17' ' ' ILE . 16.6 mt -33.28 -56.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.936 0 C-N-CA 128.815 2.846 . . . . 0.0 115.592 159.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.7 mt -47.2 -50.23 21.24 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-O 123.226 1.489 . . . . 0.0 112.915 175.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.03 -53.52 33.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.724 0 C-N-CA 128.433 2.693 . . . . 0.0 110.375 -178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -66.71 -42.36 86.51 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 123.933 1.825 . . . . 0.0 112.52 -168.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -85.93 -58.59 2.58 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 113.255 -1.793 . . . . 0.0 110.821 -172.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -100.63 1.26 40.52 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.034 -1.041 . . . . 0.0 112.474 -168.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.289 1.1 tpp180 64.34 -123.43 0.48 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 125.116 1.366 . . . . 0.0 112.136 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.4 -2.22 31.41 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 121.925 2.148 . . . . 0.0 113.093 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -42.26 -68.97 0.15 Allowed 'General case' 0 C--N 1.35 0.602 0 C-N-CA 128.13 2.572 . . . . 0.0 116.457 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.5 pt -87.31 -23.34 6.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 O-C-N 120.169 -1.582 . . . . 0.0 111.824 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 t -61.3 -51.36 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 128.819 2.847 . . . . 0.0 113.56 170.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -55.23 -59.25 5.05 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.496 1.519 . . . . 0.0 113.443 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -69.57 102.87 1.93 Allowed 'General case' 0 C--N 1.347 0.482 0 C-N-CA 125.854 1.662 . . . . 0.0 110.61 -169.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -55.11 -56.57 18.38 Favored 'General case' 0 CA--C 1.51 -0.579 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -159.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -40.08 67.08 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.259 1.423 . . . . 0.0 114.102 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -56.69 -41.63 77.69 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.333 1.453 . . . . 0.0 114.094 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -62.1 -63.88 1.11 Allowed 'General case' 0 CA--C 1.555 1.163 0 O-C-N 119.479 -2.013 . . . . 0.0 114.045 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.49 ' H ' HG13 ' A' ' 34' ' ' ILE . 6.3 mt -27.52 -67.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 128.595 2.758 . . . . 0.0 114.99 144.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.2 -28.89 59.93 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 118.303 -2.748 . . . . 0.0 116.214 -176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -70.03 -39.32 75.83 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.717 1.607 . . . . 0.0 111.309 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.41 -46.2 80.95 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-O 122.877 1.322 . . . . 0.0 112.474 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -61.29 -46.25 91.1 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.428 -1.42 . . . . 0.0 113.077 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -33.17 -56.71 0.4 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 127.606 2.362 . . . . 0.0 115.826 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.52 -7.48 10.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 O-C-N 121.798 -0.564 . . . . 0.0 111.973 -173.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.19 66.12 1.64 Allowed Glycine 0 C--N 1.343 0.968 0 O-C-N 120.311 -1.493 . . . . 0.0 115.025 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.3 t -101.42 112.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 167.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.1 p -113.18 170.06 8.49 Favored 'General case' 0 C--N 1.368 1.39 0 CA-C-O 122.811 1.291 . . . . 0.0 112.011 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -137.53 140.02 40.84 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 48.26 35.03 5.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.436 1.894 . . . . 0.0 113.469 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.22 -2.47 86.98 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.879 1.705 . . . . 0.0 115.339 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -110.81 132.21 54.39 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 125.867 1.667 . . . . 0.0 109.612 -167.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.43 125.55 29.51 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.316 -1.49 . . . . 0.0 108.975 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -75.47 105.9 6.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 123.937 1.827 . . . . 0.0 115.836 -161.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -75.53 -177.1 3.49 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.368 -1.458 . . . . 0.0 112.954 168.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -55.64 -41.11 73.11 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.35 1.46 . . . . 0.0 114.76 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -53.23 -63.58 1.1 Allowed 'General case' 0 C--N 1.349 0.553 0 C-N-CA 127.226 2.21 . . . . 0.0 111.787 171.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -59.24 -43.7 92.38 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.907 -1.121 . . . . 0.0 113.454 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -53.37 -52.54 58.94 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.352 1.861 . . . . 0.0 113.603 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -80.29 -28.7 38.23 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.687 -1.258 . . . . 0.0 112.48 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -67.66 -41.23 84.11 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.115 -1.615 . . . . 0.0 114.223 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.1 tt -67.4 -37.47 79.01 Favored 'Isoleucine or valine' 0 C--N 1.349 0.545 0 O-C-N 119.859 -1.776 . . . . 0.0 112.726 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.19 -40.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 C-N-CA 128.647 2.779 . . . . 0.0 113.475 170.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -93.52 -19.64 21.02 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 119.283 -2.136 . . . . 0.0 114.238 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -98.72 21.15 11.79 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 122.641 2.473 . . . . 0.0 111.981 162.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.643 HD21 HD13 ' A' ' 5' ' ' ILE . 1.6 tt -64.17 138.6 58.52 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.791 1.636 . . . . 0.0 113.056 173.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 61' ' ' LEU . 26.0 m -75.35 143.02 43.07 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.319 1.448 . . . . 0.0 112.383 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -65.56 -51.12 62.15 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.363 -2.085 . . . . 0.0 116.312 -168.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.15 -34.46 76.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 119.402 -2.062 . . . . 0.0 114.314 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.277 17.3 m-20 -55.38 -54.54 42.37 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 125.723 1.609 . . . . 0.0 114.339 171.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HB3' HD22 ' A' ' 61' ' ' LEU . 19.6 ptmt -61.72 -39.81 92.85 Favored 'General case' 0 C--N 1.369 1.438 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.827 178.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -71.68 -32.52 67.93 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 121.534 -0.729 . . . . 0.0 110.89 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 m -56.73 -39.27 73.65 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 120.436 -1.415 . . . . 0.0 112.922 166.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.96 -55.05 14.17 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.8 -1.813 . . . . 0.0 112.191 169.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.3 mm -45.96 -54.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 C-N-CA 127.057 2.143 . . . . 0.0 112.321 175.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -65.24 -19.46 65.98 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.716 -1.24 . . . . 0.0 113.323 -175.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -87.37 -64.04 1.21 Allowed 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 120.883 -1.136 . . . . 0.0 111.118 168.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -98.97 84.36 3.06 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 126.639 1.975 . . . . 0.0 110.668 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -67.53 -51.69 47.85 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.914 -1.117 . . . . 0.0 113.412 -174.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -88.05 -41.63 12.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.736 1.214 . . . . 0.0 109.981 -175.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.12 -47.47 89.65 Favored Glycine 0 C--N 1.351 1.396 0 C-N-CA 125.218 1.39 . . . . 0.0 115.02 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -77.34 -55.05 5.73 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.5 -1.588 . . . . 0.0 111.521 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -59.12 -42.67 91.14 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 125.534 1.534 . . . . 0.0 112.016 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.14 -22.81 71.05 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 124.873 1.225 . . . . 0.0 115.199 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.3 t -88.48 -52.18 11.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 121.331 2.565 . . . . 0.0 111.038 172.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -72.05 -24.23 61.49 Favored 'General case' 0 C--N 1.362 1.142 0 O-C-N 119.88 -1.762 . . . . 0.0 113.48 -166.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 ttt85 -75.4 -35.31 61.05 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.15 -0.969 . . . . 0.0 111.553 170.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -67.34 -37.31 83.05 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.665 -1.272 . . . . 0.0 111.266 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.3 tt -49.18 -54.02 18.45 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 124.86 1.264 . . . . 0.0 112.74 170.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -79.66 -22.1 43.93 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 74.0 mtp -66.0 -33.54 76.04 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.987 -1.695 . . . . 0.0 111.795 167.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -74.78 -55.62 5.65 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.125 -0.984 . . . . 0.0 113.002 170.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.3 p -100.81 95.95 6.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 120.316 1.417 . . . . 0.0 111.857 175.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -85.71 118.44 25.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.836 1.254 . . . . 0.0 111.301 -176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt . . . . . 0 C--N 1.348 0.528 0 O-C-N 120.028 -1.67 . . . . 0.0 112.03 177.694 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 59.3 t -52.76 -41.9 40.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 114.349 1.241 . . . . 0.0 114.349 168.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.43 -47.75 84.27 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.364 -1.46 . . . . 0.0 114.848 174.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -82.27 -31.23 30.2 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.611 0.764 . . . . 0.0 112.031 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.98 -32.97 2.15 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 120.732 -1.23 . . . . 0.0 112.238 167.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.14 108.92 19.12 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-O 123.305 1.526 . . . . 0.0 113.858 -162.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 170.51 16.16 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 119.011 -2.305 . . . . 0.0 111.815 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -43.31 -29.16 0.39 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 128.066 2.546 . . . . 0.0 117.462 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -75.89 -52.04 11.18 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 124.373 2.035 . . . . 0.0 111.041 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.08 -47.75 84.1 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 129.654 3.181 . . . . 0.0 112.123 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.98 78.5 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 125.049 1.34 . . . . 0.0 113.562 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -66.49 -49.15 67.56 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.643 0.777 . . . . 0.0 110.136 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 24.4 t -57.48 -44.86 85.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 122.347 1.07 . . . . 0.0 112.131 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.14 -66.17 0.45 Allowed 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.553 2.341 . . . . 0.0 112.221 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 30.1 ptt85 -81.75 -2.1 49.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 119.569 -1.957 . . . . 0.0 114.524 -176.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 87.9 mmm -86.26 -56.41 3.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 119.752 1.16 . . . . 0.0 112.395 163.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -94.08 -50.3 5.37 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.209 1.004 . . . . 0.0 112.56 -167.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -70.49 -38.59 74.37 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 123.913 0.885 . . . . 0.0 110.129 -175.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 92.48 15.18 54.08 Favored Glycine 0 C--N 1.348 1.2 0 N-CA-C 118.392 2.117 . . . . 0.0 118.392 168.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 32.8 mt -92.97 126.14 45.44 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 119.382 1.591 . . . . 0.0 107.438 162.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -89.88 111.89 23.07 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.299 1.04 . . . . 0.0 110.912 -170.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -133.55 65.33 1.59 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 124.543 1.137 . . . . 0.0 112.844 178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -23.91 9.84 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.325 1.45 . . . . 0.0 108.863 172.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 8.1 t -87.63 -174.37 4.75 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 120.436 -1.415 . . . . 0.0 110.575 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.79 112.16 1.93 Allowed 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.644 1.578 . . . . 0.0 112.911 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -114.38 121.68 44.34 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 38.4 p -72.71 158.63 35.24 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 120.615 -1.303 . . . . 0.0 110.229 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.59 -19.6 65.81 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.178 -2.201 . . . . 0.0 112.98 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -55.2 -47.77 74.81 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 126.221 1.809 . . . . 0.0 114.988 157.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.3 -26.45 55.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 127.726 2.41 . . . . 0.0 113.703 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.03 -43.07 96.1 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-O 122.883 1.325 . . . . 0.0 110.774 164.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.04 -50.54 66.37 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 120.482 -1.386 . . . . 0.0 112.648 170.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -66.24 -24.79 66.65 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 121.547 -0.973 . . . . 0.0 112.471 -175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.99 -20.31 56.24 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.509 -1.995 . . . . 0.0 113.249 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.56 -20.74 59.83 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.197 -2.19 . . . . 0.0 114.051 176.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -70.06 -67.54 0.48 Allowed 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 128.564 2.745 . . . . 0.0 116.545 148.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.27 84.4 t -64.05 -53.3 45.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -163.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 24.9 m -42.26 -47.73 4.82 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 118.795 2.887 . . . . 0.0 118.795 164.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -58.15 -45.32 87.59 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 118.799 -2.438 . . . . 0.0 113.845 173.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -50.67 -56.48 11.72 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.602 0.715 . . . . 0.0 111.881 168.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -54.18 -45.78 72.2 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.795 -1.191 . . . . 0.0 113.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.68 -38.69 73.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 125.721 1.608 . . . . 0.0 110.364 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -73.4 -12.72 60.91 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 119.378 -2.076 . . . . 0.0 112.237 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -89.64 -26.97 20.46 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.976 1.71 . . . . 0.0 112.915 169.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.56 -50.88 78.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 O-C-N 120.538 -1.351 . . . . 0.0 112.014 162.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -53.16 -52.99 56.98 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 129.273 3.029 . . . . 0.0 111.506 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -35.75 -50.75 0.65 Allowed 'General case' 0 C--N 1.349 0.578 0 N-CA-C 116.15 1.908 . . . . 0.0 116.15 166.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -74.44 -53.83 8.78 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.925 -1.109 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -55.01 -48.44 73.35 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 126.801 2.041 . . . . 0.0 113.634 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 48.4 mt -61.12 -43.72 98.44 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 173.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -74.92 -26.11 59.4 Favored 'General case' 0 C--N 1.366 1.307 0 O-C-N 119.532 -1.98 . . . . 0.0 111.224 -173.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -60.54 -23.52 64.67 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.516 1.526 . . . . 0.0 113.893 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.8 mt -81.9 91.11 6.5 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.607 -1.308 . . . . 0.0 111.285 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 36.4 mtp180 -83.1 -12.87 56.67 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.986 -1.696 . . . . 0.0 114.002 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -76.09 110.93 12.48 Favored Pre-proline 0 C--N 1.352 0.699 0 O-C-N 120.017 -1.677 . . . . 0.0 107.664 160.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.96 96.78 0.95 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.606 2.204 . . . . 0.0 112.856 -156.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 66.1 m -79.93 68.25 5.98 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 124.09 0.956 . . . . 0.0 110.798 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -125.34 138.13 54.06 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 124.293 1.037 . . . . 0.0 111.318 -169.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 51.4 p -127.79 -78.4 0.58 Allowed 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 170.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -147.09 -174.21 4.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 123.682 0.793 . . . . 0.0 111.136 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.5 p -99.48 68.53 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-O 124.089 1.899 . . . . 0.0 110.46 -174.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.81 130.66 42.06 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.308 -1.495 . . . . 0.0 111.283 -168.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -55.22 3.52 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 114.798 1.406 . . . . 0.0 114.798 -164.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 5.0 m -114.85 -50.68 2.76 Favored 'General case' 0 C--N 1.368 1.411 0 CA-C-N 121.043 1.747 . . . . 0.0 111.649 -173.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -86.68 36.3 0.7 Allowed 'General case' 0 C--N 1.35 0.603 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -165.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.01 38.8 0.02 OUTLIER 'General case' 0 C--N 1.343 0.317 0 C-N-CA 128.369 2.668 . . . . 0.0 115.248 167.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -91.85 173.76 7.69 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 119.916 -1.74 . . . . 0.0 114.125 -159.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 16.4 p30 . . . . . 0 N--CA 1.435 -1.209 0 C-N-CA 125.808 1.643 . . . . 0.0 109.745 174.683 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 . . . . . 0 N--CA 1.435 -1.176 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -135.7 152.0 50.73 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.311 -1.493 . . . . 0.0 110.174 168.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -49.29 -25.64 2.51 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 117.031 2.234 . . . . 0.0 117.031 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.7 tp -63.34 -24.07 34.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.858 1.263 . . . . 0.0 111.88 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -59.28 -51.74 68.64 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.408 -1.433 . . . . 0.0 112.325 168.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -55.79 -47.17 77.56 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 120.441 -1.412 . . . . 0.0 111.728 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.6 t -54.04 -52.53 35.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 125.342 1.457 . . . . 0.0 111.848 173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HG3' HD11 ' A' ' 69' ' ' LEU . 12.8 mtp180 -53.62 -47.51 70.2 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 126.41 1.884 . . . . 0.0 114.371 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -56.26 -57.42 12.3 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.103 1.361 . . . . 0.0 113.695 170.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -49.91 -49.34 21.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 C-N-CA 126.467 1.907 . . . . 0.0 114.405 175.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.266 10.8 pt -64.0 -38.53 82.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.1 m -67.04 -54.66 19.46 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.083 0.953 . . . . 0.0 112.309 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.1 -27.43 29.65 Favored 'Isoleucine or valine' 0 C--N 1.348 0.506 0 O-C-N 120.208 -1.557 . . . . 0.0 112.501 -175.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.7 -19.8 60.11 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.792 -1.192 . . . . 0.0 113.525 169.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 t -72.9 -47.39 46.22 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 124.276 1.989 . . . . 0.0 106.965 -168.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.9 mt -31.62 -59.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.925 0 C-N-CA 130.934 3.694 . . . . 0.0 114.952 158.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.4 mt -50.34 -50.01 52.3 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.245 1.022 . . . . 0.0 112.623 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.4 mm -63.1 -56.24 18.57 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 111.972 -2.376 . . . . 0.0 111.15 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -70.83 -34.67 71.92 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 118.283 -2.761 . . . . 0.0 112.1 -167.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.12 -59.97 2.24 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 125.458 1.503 . . . . 0.0 112.994 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.8 p -105.3 -8.1 18.48 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 120.524 -1.36 . . . . 0.0 114.104 -172.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.449 15.4 mtp85 71.55 -124.91 0.07 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.032 1.333 . . . . 0.0 113.3 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -109.5 1.18 19.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 119.779 -1.826 . . . . 0.0 114.148 -163.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -74.12 -44.86 52.26 Favored 'General case' 0 C--N 1.343 0.321 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.3 mt -77.66 -48.53 23.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 O-C-N 120.505 -1.372 . . . . 0.0 109.836 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -39.91 -46.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.568 0 C-N-CA 129.42 3.088 . . . . 0.0 115.513 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -47.3 -34.77 7.1 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 175.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -93.57 115.07 27.55 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 -167.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -27.06 68.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 O-C-N 121.054 -1.028 . . . . 0.0 113.749 -167.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' HB3' ' HB3' ' B' ' 602' ' ' SER . . . -78.68 -50.68 11.01 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 120.451 -1.406 . . . . 0.0 112.315 170.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -35.01 78.49 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.475 1.51 . . . . 0.0 112.31 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -60.11 -58.0 10.41 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.4 mt -70.06 -37.68 72.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 119.986 -1.696 . . . . 0.0 110.295 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.97 -21.54 12.16 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 127.189 2.196 . . . . 0.0 116.637 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -26.16 56.92 Favored 'General case' 0 C--N 1.348 0.51 0 O-C-N 121.512 -0.742 . . . . 0.0 110.676 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.26 -44.49 25.38 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 120.525 -1.36 . . . . 0.0 109.871 175.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -72.2 7.23 1.79 Allowed 'General case' 0 C--N 1.347 0.496 0 O-C-N 119.516 -1.99 . . . . 0.0 113.984 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.0 -50.9 6.34 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-O 123.023 1.392 . . . . 0.0 110.01 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -96.52 -4.58 10.04 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.352 1.061 . . . . 0.0 110.731 -175.626 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.68 53.11 1.86 Allowed Glycine 0 C--N 1.35 1.351 0 N-CA-C 117.427 1.731 . . . . 0.0 117.427 169.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 t -90.86 110.71 22.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 CA-C-N 119.67 1.735 . . . . 0.0 108.559 169.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -124.26 -179.81 4.6 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.321 -1.487 . . . . 0.0 108.693 174.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -163.48 130.99 3.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 120.925 -1.11 . . . . 0.0 108.74 164.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.453 44.2 mt-10 74.94 7.85 4.21 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 122.065 2.211 . . . . 0.0 113.595 175.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.19 -11.62 37.04 Favored Glycine 0 C--N 1.347 1.172 0 C-N-CA 126.185 1.85 . . . . 0.0 114.121 170.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -96.0 142.89 27.67 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 120.913 -1.345 . . . . 0.0 111.558 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.1 mtmm -72.0 125.5 27.39 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 161.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.52 82.58 0.1 Allowed 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -173.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -86.71 -163.86 0.97 Allowed 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.809 -1.182 . . . . 0.0 109.387 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -70.44 -30.3 67.1 Favored 'General case' 0 CA--C 1.514 -0.442 0 O-C-N 120.226 -1.546 . . . . 0.0 113.129 -167.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -51.99 -61.45 2.25 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.237 1.415 . . . . 0.0 113.403 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.0 m -58.92 -45.64 89.86 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.14 -56.91 11.54 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -77.76 -33.71 52.67 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.983 -1.073 . . . . 0.0 111.113 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -51.87 -52.58 48.6 Favored 'General case' 0 C--N 1.361 1.072 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.9 pt -67.12 -37.36 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.649 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -172.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.6 t -73.28 -34.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 C-N-CA 128.885 2.874 . . . . 0.0 112.942 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 m -76.84 -43.03 37.85 Favored 'General case' 0 C--N 1.344 0.332 0 O-C-N 119.171 -2.206 . . . . 0.0 113.919 173.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -90.14 15.9 9.43 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 123.989 3.086 . . . . 0.0 110.684 176.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -69.31 144.52 53.52 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.111 1.365 . . . . 0.0 111.469 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.43 167.93 18.87 Favored 'General case' 0 C--O 1.222 -0.369 0 O-C-N 120.582 -1.324 . . . . 0.0 109.569 -173.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -62.51 -50.25 72.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 119.75 -1.844 . . . . 0.0 114.202 -177.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.14 -45.59 73.19 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.573 -1.329 . . . . 0.0 114.332 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -33.23 -64.69 0.19 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 128.757 2.823 . . . . 0.0 116.011 166.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.265 4.9 ptmm? -67.53 -44.56 78.03 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 121.018 -1.051 . . . . 0.0 113.589 178.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -63.63 -39.2 93.75 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 122.786 0.435 . . . . 0.0 110.668 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.7 m -49.92 -49.16 50.89 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 124.811 1.245 . . . . 0.0 114.235 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD11 ' HG3' ' A' ' 9' ' ' ARG . 26.3 mt -74.22 -39.72 62.91 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.73 -1.856 . . . . 0.0 112.467 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.9 mt -48.66 -46.85 15.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 126.134 1.774 . . . . 0.0 112.225 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.21 -50.99 42.29 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.978 1.311 . . . . 0.0 114.306 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -74.65 -49.93 19.57 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -129.26 78.89 1.88 Allowed 'General case' 0 C--N 1.347 0.494 0 C-N-CA 124.67 1.188 . . . . 0.0 109.3 -170.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.7 -33.78 71.25 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.368 -1.458 . . . . 0.0 112.312 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -74.35 -30.48 62.03 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.367 -1.458 . . . . 0.0 110.827 178.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.45 -62.0 3.65 Favored Glycine 0 C--N 1.349 1.252 0 C-N-CA 123.791 0.71 . . . . 0.0 112.404 173.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -74.82 -62.72 1.44 Allowed 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 120.76 -1.435 . . . . 0.0 113.36 -172.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -68.02 -39.79 83.05 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.571 -1.331 . . . . 0.0 111.149 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.27 -48.06 54.52 Favored Glycine 0 C--N 1.352 1.468 0 C-N-CA 125.102 1.334 . . . . 0.0 114.305 172.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 91.2 t -81.44 -53.52 12.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.248 -1.736 . . . . 0.0 114.371 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.283 0.1 OUTLIER -73.61 -17.86 61.12 Favored 'General case' 0 C--N 1.367 1.33 0 O-C-N 118.597 -2.565 . . . . 0.0 115.765 -161.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -77.92 -31.4 51.09 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 119.998 -1.689 . . . . 0.0 111.03 170.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -68.53 -35.95 78.16 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 111.979 167.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.0 -53.82 47.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 126.057 1.743 . . . . 0.0 113.27 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.85 -26.47 59.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 120.89 -1.131 . . . . 0.0 113.412 176.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 66.1 ttp -67.2 -53.32 31.37 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.15 -1.594 . . . . 0.0 112.494 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -75.24 -54.95 6.23 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.139 -0.976 . . . . 0.0 111.286 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 p -80.11 91.42 5.52 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 124.0 1.857 . . . . 0.0 108.72 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -106.84 154.02 21.63 Favored 'General case' 0 N--CA 1.443 -0.813 0 O-C-N 119.883 -1.761 . . . . 0.0 106.802 -168.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-N 121.917 2.144 . . . . 0.0 111.695 172.084 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.01 -43.21 84.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 127.881 2.473 . . . . 0.0 112.281 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 42.8 mt -56.89 -51.56 68.6 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -78.0 -36.5 48.77 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.537 -1.352 . . . . 0.0 110.665 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 133.44 -25.35 3.63 Favored Glycine 0 CA--C 1.492 -1.38 0 O-C-N 121.656 -0.653 . . . . 0.0 112.782 164.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.49 128.35 35.33 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 123.377 1.56 . . . . 0.0 113.722 -173.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.6 t -77.26 166.76 22.77 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-O 122.525 1.155 . . . . 0.0 111.469 -175.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -56.71 -33.54 66.57 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.318 -1.489 . . . . 0.0 113.387 -173.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -66.67 -35.62 80.59 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 126.833 2.053 . . . . 0.0 112.01 -178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.1 -42.52 66.01 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 125.52 1.528 . . . . 0.0 109.809 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.57 -34.29 73.96 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.982 -1.074 . . . . 0.0 112.895 173.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -52.68 -60.67 2.96 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 125.389 1.476 . . . . 0.0 113.9 168.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.26 -25.26 36.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 O-C-N 120.112 -1.617 . . . . 0.0 114.474 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 41.4 mt -66.2 -45.12 81.86 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 124.168 0.987 . . . . 0.0 110.564 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -70.5 -31.56 68.7 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 167.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 98.2 mmm -68.88 -64.47 0.86 Allowed 'General case' 0 C--N 1.353 0.725 0 O-C-N 117.686 -3.134 . . . . 0.0 114.03 173.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -95.58 -33.51 12.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 -165.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -90.62 -24.14 20.61 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.894 -1.129 . . . . 0.0 112.727 -167.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 96.06 12.22 52.82 Favored Glycine 0 C--N 1.348 1.241 0 O-C-N 121.438 -0.789 . . . . 0.0 114.836 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 5.2 mt -111.4 114.57 47.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 118.822 1.311 . . . . 0.0 108.27 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -84.6 102.5 12.96 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.812 -1.18 . . . . 0.0 110.488 -170.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 40.5 mtt -97.92 61.51 1.54 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 119.232 -2.168 . . . . 0.0 109.406 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -122.49 -45.48 2.19 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 121.122 -0.987 . . . . 0.0 110.735 -173.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 18.5 p -77.25 165.97 23.8 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 124.986 1.314 . . . . 0.0 110.169 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -45.96 135.59 7.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 129.089 2.956 . . . . 0.0 116.868 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -133.45 160.04 38.57 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 122.521 1.153 . . . . 0.0 110.561 177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 21.7 p -134.65 153.51 51.95 Favored 'General case' 0 CA--C 1.501 -0.912 0 C-N-CA 125.172 1.389 . . . . 0.0 107.685 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.58 -38.12 52.95 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -170.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -73.18 -37.58 66.46 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.343 -1.473 . . . . 0.0 111.502 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -68.41 -41.79 79.93 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 127.464 2.305 . . . . 0.0 113.392 173.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 89.5 t -50.79 -50.18 24.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 C-N-CA 125.339 1.456 . . . . 0.0 112.264 164.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -59.92 -41.01 97.62 Favored Glycine 0 C--N 1.351 1.391 0 C-N-CA 123.921 0.772 . . . . 0.0 113.414 175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -73.3 -33.23 65.07 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 122.73 1.252 . . . . 0.0 109.524 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -76.89 -12.0 59.9 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.592 -1.317 . . . . 0.0 113.139 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -74.98 -60.08 2.45 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 125.954 1.702 . . . . 0.0 109.519 174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -31.37 -68.91 0.08 Allowed 'General case' 0 C--N 1.352 0.681 0 C-N-CA 128.172 2.589 . . . . 0.0 115.86 153.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 71.8 t -48.99 -60.06 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.64 0 C-N-CA 125.418 1.487 . . . . 0.0 113.706 173.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -17.61 64.97 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 117.783 2.512 . . . . 0.0 117.783 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -66.66 -39.07 88.03 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 119.927 -1.733 . . . . 0.0 109.161 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -61.09 -48.23 82.67 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.65 -1.159 . . . . 0.0 112.942 167.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -56.87 -38.97 73.49 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 120.899 1.681 . . . . 0.0 111.979 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.49 -43.07 86.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.31 -1.494 . . . . 0.0 112.438 171.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -71.94 -17.56 62.07 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 123.636 2.925 . . . . 0.0 110.676 -177.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -76.53 -32.01 57.99 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.707 -1.246 . . . . 0.0 112.584 169.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.04 -49.92 81.56 Favored 'Isoleucine or valine' 0 C--N 1.347 0.5 0 C-N-CA 125.882 1.673 . . . . 0.0 111.948 162.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -51.93 -55.45 20.18 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.015 1.726 . . . . 0.0 111.949 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.43 -51.12 15.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.588 1.955 . . . . 0.0 114.838 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -75.73 -24.09 56.13 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.011 -1.68 . . . . 0.0 112.168 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -80.32 -36.09 34.74 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.11 0.964 . . . . 0.0 110.802 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.11 -1.05 18.52 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 170.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -100.13 -43.13 6.43 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.619 1.567 . . . . 0.0 109.679 171.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -66.03 -35.98 82.02 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.62 -1.3 . . . . 0.0 112.776 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.59 150.31 41.51 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.038 1.399 . . . . 0.0 108.135 165.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -156.35 -26.09 0.1 Allowed 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 121.103 -0.998 . . . . 0.0 111.598 -148.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -88.0 119.63 70.49 Favored Pre-proline 0 C--N 1.352 0.69 0 O-C-N 120.215 -1.553 . . . . 0.0 107.979 156.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -65.89 158.68 52.69 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 CA-C-N 122.786 2.031 . . . . 0.0 116.022 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 31' ' ' ALA . 64.6 p -109.38 -99.5 0.39 Allowed 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.741 1.216 . . . . 0.0 110.716 -175.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -78.87 116.14 19.01 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 124.64 1.176 . . . . 0.0 108.078 163.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 55.5 p -78.93 -25.26 43.67 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 120.894 -1.129 . . . . 0.0 112.39 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -68.08 170.09 9.04 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 122.863 1.316 . . . . 0.0 114.233 -174.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 10.5 t -87.19 78.16 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 O-C-N 120.282 -1.511 . . . . 0.0 110.486 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 37.7 tp -96.05 90.01 5.4 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 120.602 -1.311 . . . . 0.0 107.877 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -175.02 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.352 0.688 0 C-N-CA 124.148 0.979 . . . . 0.0 109.138 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 15.0 m -80.26 -19.24 47.25 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -159.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -70.31 -25.15 63.18 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 121.733 2.061 . . . . 0.0 112.946 -167.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.26 100.34 9.84 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 125.111 1.364 . . . . 0.0 110.303 179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 67.02 73.2 0.35 Allowed 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 127.045 2.138 . . . . 0.0 115.912 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 CA--C 1.551 1.016 0 O-C-N 120.702 -1.249 . . . . 0.0 108.246 175.337 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 122.72 1.247 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -114.65 138.41 50.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 122.066 0.936 . . . . 0.0 110.98 175.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -93.22 -21.78 19.42 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.871 -1.143 . . . . 0.0 110.137 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 tp -65.18 -21.57 29.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -170.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -63.85 -48.41 76.86 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 120.067 -1.646 . . . . 0.0 113.421 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.4 m -68.91 -41.81 77.68 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.838 -1.163 . . . . 0.0 110.74 174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.265 10.7 t -57.11 -43.88 82.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 120.67 -1.268 . . . . 0.0 113.254 173.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -51.79 -46.7 64.29 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 118.963 -2.335 . . . . 0.0 115.11 166.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.67 -56.16 23.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.722 1.609 . . . . 0.0 112.487 170.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 mp -41.57 -51.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 127.926 2.49 . . . . 0.0 114.269 168.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -67.22 -46.41 84.16 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 C-N-CA 124.252 1.021 . . . . 0.0 110.775 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.3 m -59.16 -46.7 87.69 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.355 -0.84 . . . . 0.0 113.068 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -78.51 -27.66 14.26 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 O-C-N 120.252 -1.53 . . . . 0.0 114.041 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 -20.68 60.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 119.0 -2.313 . . . . 0.0 111.743 173.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.6 t -72.26 -52.74 14.96 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 123.785 1.755 . . . . 0.0 108.22 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.5 mt -26.74 -60.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 130.947 3.699 . . . . 0.0 115.371 159.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -56.42 -36.54 69.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.54 1.136 . . . . 0.0 113.442 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mm -74.81 -55.63 11.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 125.504 1.522 . . . . 0.0 110.136 176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -63.58 -34.62 78.21 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 119.397 -2.065 . . . . 0.0 112.075 -166.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -79.74 -58.32 3.24 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 126.258 1.823 . . . . 0.0 112.08 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 m -116.32 -1.54 12.3 Favored 'General case' 0 CA--C 1.514 -0.424 0 O-C-N 120.426 -1.421 . . . . 0.0 113.318 -164.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 52.85 -106.62 0.3 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.157 1.783 . . . . 0.0 113.317 -171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.69 4.99 38.74 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 120.393 -1.442 . . . . 0.0 112.909 -171.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.99 -44.59 72.55 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 118.375 -2.703 . . . . 0.0 115.998 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -30.76 3.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 120.103 -1.623 . . . . 0.0 110.799 176.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.5 t -43.89 -53.18 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 164.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -56.71 -27.38 58.96 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 117.558 2.429 . . . . 0.0 117.558 -162.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -101.26 123.37 45.27 Favored 'General case' 0 N--CA 1.439 -0.986 0 O-C-N 119.195 -2.191 . . . . 0.0 105.364 -171.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -60.12 -23.94 64.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.8 -53.59 12.85 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.707 -1.246 . . . . 0.0 110.429 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.91 -38.62 73.08 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 125.958 1.703 . . . . 0.0 115.088 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -62.5 -70.28 0.21 Allowed 'General case' 0 CA--C 1.547 0.855 0 O-C-N 120.213 -1.554 . . . . 0.0 113.415 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.455 HG13 ' H ' ' A' ' 34' ' ' ILE . 34.3 mt -26.36 -54.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 128.191 2.596 . . . . 0.0 114.445 148.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -58.67 -30.94 67.74 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 117.167 -3.458 . . . . 0.0 117.145 173.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -72.31 -35.96 68.76 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.889 1.276 . . . . 0.0 111.368 177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.9 -37.19 75.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.917 -1.114 . . . . 0.0 111.39 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -77.14 -29.74 54.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 119.662 -1.899 . . . . 0.0 112.523 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.46 -58.73 1.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.194 2.197 . . . . 0.0 114.978 165.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.97 -7.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 120.445 -1.409 . . . . 0.0 112.487 -178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.2 62.47 2.19 Favored Glycine 0 CA--C 1.49 -1.474 0 O-C-N 120.768 -1.208 . . . . 0.0 114.989 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 m -100.66 127.64 53.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 166.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.0 p -124.6 172.31 9.34 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 120.722 -1.236 . . . . 0.0 111.078 178.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -142.47 146.49 34.83 Favored 'General case' 0 C--N 1.348 0.532 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 169.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 45.89 32.95 1.43 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 123.588 1.661 . . . . 0.0 114.565 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.56 -1.47 85.69 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 126.276 1.893 . . . . 0.0 115.706 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.1 151.41 34.36 Favored 'General case' 0 CA--C 1.509 -0.611 0 O-C-N 120.95 -1.324 . . . . 0.0 110.627 -166.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -78.36 135.08 37.39 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.887 -1.133 . . . . 0.0 108.653 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.82 82.54 8.08 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.146 -1.596 . . . . 0.0 114.665 -167.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -67.58 179.98 1.22 Allowed 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.488 -1.233 . . . . 0.0 112.294 159.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -51.31 -42.79 61.43 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 125.295 1.438 . . . . 0.0 113.985 -174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -53.87 -63.98 0.97 Allowed 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.527 2.731 . . . . 0.0 112.657 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.9 t -66.84 -36.97 83.56 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.496 1.118 . . . . 0.0 112.247 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -58.74 -54.12 50.63 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 125.116 1.366 . . . . 0.0 113.195 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -70.09 -32.01 69.87 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 120.126 -1.609 . . . . 0.0 111.591 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -78.19 -38.99 42.09 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.0 tt -63.79 -42.57 96.35 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 120.616 -1.303 . . . . 0.0 112.097 175.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.6 t -67.55 -56.09 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 C-N-CA 125.672 1.589 . . . . 0.0 113.857 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -76.49 -25.36 54.19 Favored 'General case' 0 C--N 1.377 1.776 0 O-C-N 118.48 -2.638 . . . . 0.0 110.609 -164.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -94.88 20.66 8.51 Favored 'General case' 0 C--N 1.365 1.268 0 C-N-CA 124.657 1.183 . . . . 0.0 113.544 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.1 mt -66.87 160.82 25.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.059 -1.651 . . . . 0.0 114.121 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 m -77.8 129.22 35.18 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.705 -1.247 . . . . 0.0 109.256 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -34.82 -48.07 0.37 Allowed 'General case' 0 C--N 1.352 0.7 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.88 -31.9 71.17 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -94.78 -20.19 19.7 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 120.064 1.302 . . . . 0.0 113.546 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -48.8 -42.95 37.64 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 119.881 -1.762 . . . . 0.0 113.604 150.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -78.35 -28.13 47.14 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 121.695 -0.628 . . . . 0.0 111.939 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 48.8 m -54.19 -42.21 69.44 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 119.806 -1.809 . . . . 0.0 113.357 167.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.05 -55.63 13.54 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 119.866 -1.771 . . . . 0.0 113.298 169.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.8 mt -42.53 -56.87 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 C-N-CA 125.359 1.464 . . . . 0.0 113.569 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.55 -37.28 83.2 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.362 1.465 . . . . 0.0 113.891 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -83.32 -67.33 0.8 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.33 0.652 . . . . 0.0 110.414 175.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -87.62 77.94 8.62 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.2 1.4 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -61.25 -44.2 97.63 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.427 -1.421 . . . . 0.0 113.71 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -78.74 -41.94 29.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 122.192 0.996 . . . . 0.0 109.969 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.79 -45.78 95.01 Favored Glycine 0 C--N 1.35 1.337 0 C-N-CA 125.7 1.619 . . . . 0.0 114.131 -177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -75.45 -51.94 11.86 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.253 -1.733 . . . . 0.0 111.791 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -54.1 -40.3 67.16 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.496 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.2 -64.91 3.02 Favored Glycine 0 C--N 1.35 1.313 0 C-N-CA 124.927 1.251 . . . . 0.0 114.564 167.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.404 ' HA ' ' CE2' ' A' ' 83' ' ' TYR . 73.9 t -70.13 -47.62 66.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 120.42 2.11 . . . . 0.0 114.585 -174.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -36.87 -57.97 0.78 Allowed 'General case' 0 C--N 1.351 0.649 0 C-N-CA 126.818 2.047 . . . . 0.0 115.234 168.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -57.46 -41.63 80.97 Favored 'General case' 0 C--N 1.345 0.379 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 177.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 80' ' ' VAL 0.295 34.6 p90 -85.28 -32.89 22.3 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.35 -1.469 . . . . 0.0 113.453 -175.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 mt -72.34 -30.11 64.44 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.085 -1.634 . . . . 0.0 112.759 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.61 -32.5 60.31 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.188 -1.57 . . . . 0.0 111.168 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 64.0 ttp -66.13 -65.33 0.69 Allowed 'General case' 0 C--N 1.351 0.663 0 C-N-CA 125.152 1.381 . . . . 0.0 114.057 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.74 -4.32 50.62 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 -168.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.3 m -84.1 120.83 26.63 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 119.08 -2.262 . . . . 0.0 111.35 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.55 136.81 54.3 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 126.611 1.964 . . . . 0.0 112.884 170.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 91.1 mttt . . . . . 0 N--CA 1.447 -0.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.046 -172.08 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 121.532 0.682 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 67.5 t -51.3 -50.25 27.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 C-N-CA 125.913 1.685 . . . . 0.0 113.411 171.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.7 tp -53.69 -49.31 68.31 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.74 -27.81 50.56 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 120.663 -1.273 . . . . 0.0 111.835 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 139.68 -19.68 2.95 Favored Glycine 0 C--N 1.348 1.245 0 O-C-N 121.252 -0.905 . . . . 0.0 114.261 162.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.31 115.67 23.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 124.544 2.116 . . . . 0.0 115.063 -170.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.6 m -64.13 146.92 53.4 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.469 171.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -40.48 -34.48 0.35 Allowed 'General case' 0 C--N 1.349 0.586 0 N-CA-C 116.458 2.022 . . . . 0.0 116.458 171.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -76.44 -23.83 53.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 122.901 1.334 . . . . 0.0 112.672 -177.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -81.62 -38.27 26.28 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 127.168 2.187 . . . . 0.0 109.531 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.37 71.89 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.828 -1.17 . . . . 0.0 112.146 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -48.58 -60.74 2.46 Favored 'General case' 0 C--N 1.35 0.611 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 164.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.63 -38.38 42.48 Favored 'Isoleucine or valine' 0 C--N 1.363 1.187 0 C-N-CA 127.816 2.446 . . . . 0.0 114.62 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.26 -45.04 96.16 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.605 1.162 . . . . 0.0 110.948 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -52.37 64.6 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 161.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 68.1 mtm -60.46 -63.35 1.33 Allowed 'General case' 0 C--N 1.347 0.482 0 CA-C-N 122.305 2.32 . . . . 0.0 116.264 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -98.47 -38.11 9.32 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 125.275 1.43 . . . . 0.0 113.555 -167.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -82.89 -23.03 33.77 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.785 -1.197 . . . . 0.0 110.528 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 71.67 34.54 62.84 Favored Glycine 0 C--N 1.354 1.533 0 C-N-CA 125.053 1.311 . . . . 0.0 115.56 -177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 35.8 mt -99.24 129.17 50.09 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 120.624 -1.515 . . . . 0.0 109.947 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.17 108.72 14.0 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.812 -1.18 . . . . 0.0 112.415 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 12.9 ptp -132.3 41.1 3.25 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 122.669 1.223 . . . . 0.0 108.615 165.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.39 37.6 3.5 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.142 1.377 . . . . 0.0 110.791 -168.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 6.8 t -137.78 -164.8 1.67 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.818 2.047 . . . . 0.0 107.893 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -64.74 111.05 2.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.007 1.723 . . . . 0.0 113.581 155.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.62 116.81 31.98 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 -178.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 76.6 m -81.8 148.83 28.67 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 120.066 -1.646 . . . . 0.0 107.964 174.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . 0.532 ' H ' HD23 ' B' ' 573' ' ' LEU . 1.0 OUTLIER -55.68 -20.82 15.5 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -177.122 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -66.38 -36.08 81.96 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.651 1.18 . . . . 0.0 113.41 168.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -70.1 -41.09 74.49 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.624 1.57 . . . . 0.0 112.609 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.02 -42.74 83.51 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.602 1.191 . . . . 0.0 111.35 170.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -61.49 -54.12 38.48 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 124.504 1.049 . . . . 0.0 113.586 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . 0.442 ' HA ' ' HE3' ' B' ' 578' ' ' LYS . 0.7 OUTLIER -66.09 -30.26 70.73 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 122.868 1.318 . . . . 0.0 111.003 -172.034 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.32 0.81 47.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.526 1.13 . . . . 0.0 113.041 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -59.08 2.91 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 119.168 -2.207 . . . . 0.0 109.969 160.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -40.91 -59.7 1.37 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.413 2.005 . . . . 0.0 116.413 158.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . 0.256 91.7 t -65.18 -57.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 O-C-N 120.025 -1.672 . . . . 0.0 113.171 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 17.9 m -54.63 -35.98 64.03 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 118.24 2.682 . . . . 0.0 118.24 171.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -66.46 -39.36 88.79 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 119.047 -2.283 . . . . 0.0 111.697 174.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.73 -51.03 71.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 120.679 -1.263 . . . . 0.0 113.076 167.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -53.64 -40.09 65.53 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 120.44 -1.412 . . . . 0.0 112.807 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -61.29 -45.6 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 O-C-N 120.3 -1.5 . . . . 0.0 112.439 172.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -74.8 -13.77 60.62 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 124.638 3.381 . . . . 0.0 111.356 -178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -70.1 -48.88 55.82 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.731 -1.856 . . . . 0.0 112.145 165.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 54.1 mt -47.97 -50.75 9.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.906 0 C-N-CA 125.786 1.634 . . . . 0.0 113.89 163.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -53.4 -60.71 2.95 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.513 1.925 . . . . 0.0 113.488 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.07 -47.87 3.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.825 2.05 . . . . 0.0 115.828 167.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -67.66 -46.7 71.63 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.657 -1.277 . . . . 0.0 112.081 177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . 0.445 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -58.63 -35.97 73.33 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 125.13 1.372 . . . . 0.0 114.121 175.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.33 -19.88 65.52 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 120.566 -1.334 . . . . 0.0 113.553 173.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -89.0 -29.78 19.24 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 120.171 -1.58 . . . . 0.0 108.176 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.71 -21.0 66.5 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 165.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 26.5 mt -86.04 101.66 13.13 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 119.654 -1.904 . . . . 0.0 112.813 168.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -50.27 13.13 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 120.284 3.438 . . . . 0.0 120.284 156.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -81.83 145.76 54.58 Favored Pre-proline 0 C--N 1.344 0.346 0 CA-C-O 118.34 -0.838 . . . . 0.0 109.725 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.66 167.48 27.02 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.459 2.106 . . . . 0.0 112.947 -170.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 49.2 m -91.9 164.57 13.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 123.156 1.455 . . . . 0.0 111.288 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.52 155.37 31.67 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 120.542 -1.349 . . . . 0.0 110.116 177.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 65.9 m -65.01 -27.55 68.9 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 120.11 -1.619 . . . . 0.0 114.1 -167.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' B' ' 605' ' ' GLU . 3.9 mm-40 -63.14 -8.48 7.97 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 127.824 2.45 . . . . 0.0 116.233 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.7 67.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-O 124.463 2.077 . . . . 0.0 113.176 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 42.2 mt -83.87 121.11 26.9 Favored 'General case' 0 N--CA 1.442 -0.832 0 O-C-N 119.596 -1.94 . . . . 0.0 110.624 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -135.71 -63.11 0.67 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 6.4 m -85.22 7.89 20.38 Favored 'General case' 0 CA--C 1.506 -0.732 0 O-C-N 120.768 -1.208 . . . . 0.0 114.007 -167.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -93.06 -32.89 14.31 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 123.299 1.523 . . . . 0.0 110.564 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.25 94.25 9.85 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.784 1.233 . . . . 0.0 108.842 -173.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -106.67 -87.87 0.47 Allowed 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 122.48 1.133 . . . . 0.0 108.344 -172.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.436 -1.15 0 C-N-CA 128.339 2.656 . . . . 0.0 109.056 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.4 m120 . . . . . 0 N--CA 1.442 -0.846 0 CA-C-O 121.901 0.858 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.43 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -169.63 155.43 5.99 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 124.96 1.304 . . . . 0.0 107.843 168.614 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.472 ' HA ' ' CE1' ' A' ' 44' ' ' HIS . 21.4 m120 -97.88 -34.01 11.01 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 123.903 0.881 . . . . 0.0 110.592 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.83 -33.65 35.11 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 -168.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -59.14 -42.99 91.99 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.382 -1.449 . . . . 0.0 112.839 178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.7 m -77.78 -39.29 44.54 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 121.053 -1.029 . . . . 0.0 111.175 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.6 -57.42 2.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.518 0 O-C-N 121.175 -0.953 . . . . 0.0 112.763 166.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 -50.23 -46.71 54.92 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.504 -1.372 . . . . 0.0 114.02 171.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -49.43 -62.22 1.66 Allowed 'General case' 0 C--N 1.348 0.541 0 C-N-CA 125.654 1.581 . . . . 0.0 113.501 169.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -43.1 -53.7 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 128.153 2.581 . . . . 0.0 115.655 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.2 mm -55.04 -53.02 38.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.768 1.227 . . . . 0.0 111.631 172.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -65.67 -42.98 90.69 Favored 'General case' 0 C--N 1.341 0.218 0 O-C-N 120.411 -1.43 . . . . 0.0 113.207 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 p -77.54 -28.34 15.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 O-C-N 119.586 -1.946 . . . . 0.0 113.985 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.41 -16.72 62.98 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 119.039 -2.288 . . . . 0.0 112.825 165.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.1 t -71.7 -41.95 67.97 Favored 'General case' 0 C--N 1.366 1.29 0 O-C-N 120.662 -1.274 . . . . 0.0 108.764 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 mm -37.11 -61.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.431 0 C-N-CA 129.323 3.049 . . . . 0.0 113.912 163.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.5 mt -51.21 -49.6 60.72 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 126.723 2.009 . . . . 0.0 112.111 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.3 mm -59.42 -48.89 85.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 128.649 2.78 . . . . 0.0 113.491 175.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -78.59 -45.57 21.38 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 118.674 -2.516 . . . . 0.0 111.096 -175.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -73.54 -54.56 7.93 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.368 1.467 . . . . 0.0 113.795 -173.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -105.85 -9.85 16.97 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 121.357 -0.839 . . . . 0.0 112.763 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.406 42.2 mtt180 62.46 -130.71 0.57 Allowed 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.967 0.907 . . . . 0.0 113.241 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -97.53 5.57 49.39 Favored 'General case' 0 CA--C 1.515 -0.387 0 O-C-N 119.787 -1.821 . . . . 0.0 111.601 -163.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.13 -68.39 0.3 Allowed 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 129.696 3.199 . . . . 0.0 113.007 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.2 pt -84.62 -28.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.915 0 O-C-N 119.681 -1.887 . . . . 0.0 110.728 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.5 t -46.77 -38.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 127.651 2.38 . . . . 0.0 115.442 171.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -51.68 -48.78 63.33 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.142 1.448 . . . . 0.0 112.2 172.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -79.96 100.3 8.03 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 113.623 -1.626 . . . . 0.0 109.24 -145.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -59.68 -25.49 64.8 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -167.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.01 -55.51 4.53 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.981 -1.075 . . . . 0.0 110.989 173.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.5 -44.46 97.03 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.732 2.013 . . . . 0.0 111.93 -173.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.83 -44.17 81.78 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 120.404 -1.435 . . . . 0.0 114.665 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.2 mt -83.58 -27.16 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 119.141 -2.224 . . . . 0.0 110.007 -179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.99 -29.82 70.95 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.106 -2.246 . . . . 0.0 112.941 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.06 -42.31 99.67 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 125.638 1.575 . . . . 0.0 112.094 173.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.61 -38.9 89.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.019 1.728 . . . . 0.0 112.531 173.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -79.31 -33.33 43.34 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.432 -1.417 . . . . 0.0 113.6 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -57.4 2.02 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.549 2.339 . . . . 0.0 116.07 164.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.7 pt -84.2 -15.74 11.03 Favored 'Isoleucine or valine' 0 C--N 1.359 0.994 0 O-C-N 121.382 -0.824 . . . . 0.0 110.731 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.92 56.1 1.78 Allowed Glycine 0 CA--C 1.494 -1.226 0 O-C-N 121.191 -0.943 . . . . 0.0 112.61 165.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -84.9 130.25 36.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.62 0 CA-C-O 123.461 1.601 . . . . 0.0 108.509 170.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.1 p -127.72 150.86 49.6 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 129.748 3.219 . . . . 0.0 109.73 -163.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.472 ' CE1' ' HA ' ' A' ' 4' ' ' ASN . 55.8 t60 -147.4 137.77 23.26 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 119.78 -1.825 . . . . 0.0 108.769 163.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 54.84 35.03 23.32 Favored 'General case' 0 C--N 1.363 1.164 0 O-C-N 120.298 -1.501 . . . . 0.0 113.529 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.61 -7.45 54.01 Favored Glycine 0 C--N 1.351 1.402 0 C-N-CA 125.595 1.569 . . . . 0.0 113.614 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -96.83 157.38 15.93 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 124.892 1.277 . . . . 0.0 110.837 -174.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -94.66 129.47 41.53 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.262 0.5 OUTLIER -94.6 99.54 11.66 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 123.31 1.529 . . . . 0.0 114.258 -170.555 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.03 -173.22 3.46 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 120.245 -1.534 . . . . 0.0 111.193 166.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -45.18 -52.64 9.12 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 118.284 2.698 . . . . 0.0 118.284 -172.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.23 -55.04 39.9 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 126.207 1.803 . . . . 0.0 113.719 174.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -70.64 -30.81 67.54 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.585 -1.322 . . . . 0.0 113.136 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.51 -46.63 83.57 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 125.582 1.553 . . . . 0.0 111.42 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.49 -37.71 68.36 Favored 'General case' 0 C--N 1.359 1.001 0 O-C-N 120.76 -1.212 . . . . 0.0 111.007 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.86 -40.98 88.06 Favored 'General case' 0 C--N 1.351 0.641 0 C-N-CA 126.134 1.773 . . . . 0.0 114.222 -174.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.1 tt -70.69 -24.75 25.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 119.419 -2.051 . . . . 0.0 113.193 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.8 t -87.42 -40.55 13.92 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 127.311 2.244 . . . . 0.0 112.248 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.0 p -58.14 -45.51 87.26 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 116.827 2.158 . . . . 0.0 116.827 165.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -90.53 77.12 6.51 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 121.113 1.778 . . . . 0.0 110.504 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mt -113.54 131.17 56.18 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.892 1.277 . . . . 0.0 112.621 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.2 m -64.9 127.93 33.65 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.34 1.456 . . . . 0.0 111.239 174.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.25 -54.48 13.46 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 -174.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.73 -34.06 75.14 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -89.38 -30.68 18.2 Favored 'General case' 0 C--N 1.367 1.36 0 O-C-N 120.55 -1.344 . . . . 0.0 111.351 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -40.63 82.4 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 118.883 -2.386 . . . . 0.0 113.257 165.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -68.84 -42.95 76.44 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 124.102 0.961 . . . . 0.0 111.677 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.8 m -43.71 -49.58 7.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.813 2.045 . . . . 0.0 114.632 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.13 -45.62 84.31 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 120.731 -1.231 . . . . 0.0 112.495 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.7 mt -51.04 -59.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 125.232 1.413 . . . . 0.0 110.43 169.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.17 -23.41 66.58 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -68.1 -80.37 0.04 OUTLIER 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.028 1.74 . . . . 0.0 111.803 170.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -124.83 104.81 8.82 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.018 -1.051 . . . . 0.0 108.512 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.99 -47.43 85.21 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -168.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.2 -44.96 33.31 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 115.749 1.759 . . . . 0.0 115.749 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.48 -65.1 3.79 Favored Glycine 0 C--N 1.358 1.753 0 C-N-CA 125.642 1.591 . . . . 0.0 113.145 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.93 -42.64 99.87 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.991 -1.299 . . . . 0.0 112.794 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -53.1 -40.47 64.16 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.43 30.71 Favored Glycine 0 C--N 1.343 0.963 0 O-C-N 120.976 -1.078 . . . . 0.0 113.548 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.08 -49.77 77.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 121.668 -0.901 . . . . 0.0 112.52 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -37.09 -61.02 0.59 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.314 1.846 . . . . 0.0 115.181 163.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -65.14 -50.62 65.31 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -70.7 -24.35 62.64 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 120.116 -1.615 . . . . 0.0 112.873 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.41 -48.77 76.45 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 125.495 1.518 . . . . 0.0 111.911 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -70.1 -46.02 65.71 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.352 -0.843 . . . . 0.0 113.058 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 32.9 ttp -70.19 -50.05 44.11 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -172.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -93.24 -58.78 2.2 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.755 -1.216 . . . . 0.0 112.805 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.324 2.4 t -88.75 91.31 8.77 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 124.438 2.066 . . . . 0.0 113.269 -169.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -77.32 151.62 34.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 119.832 -1.792 . . . . 0.0 111.506 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--N 1.362 1.136 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 172.011 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 56.8 t -66.1 -34.96 73.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 O-C-N 120.205 -1.559 . . . . 0.0 111.876 167.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 20.0 tp -69.1 -72.95 0.16 Allowed 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.505 -1.997 . . . . 0.0 111.015 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -14.76 -73.32 0.01 OUTLIER 'General case' 0 C--N 1.355 0.82 1 N-CA-C 122.019 4.081 . . . . 0.0 122.019 151.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 120.49 -38.64 2.66 Favored Glycine 0 C--N 1.351 1.412 0 C-N-CA 124.025 0.822 . . . . 0.0 111.819 -169.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -82.35 128.61 34.39 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 124.037 1.875 . . . . 0.0 115.933 -174.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 3.7 m -55.18 146.27 19.15 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 126.724 2.009 . . . . 0.0 113.196 175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.88 -35.59 58.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 118.102 -2.874 . . . . 0.0 114.035 169.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -56.96 -34.56 68.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.137 1.375 . . . . 0.0 113.348 171.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -76.8 -34.51 57.93 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.121 1.768 . . . . 0.0 111.531 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.69 78.55 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 120.37 -1.456 . . . . 0.0 112.47 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -44.46 -60.51 1.92 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 165.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.75 -30.1 47.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 C-N-CA 125.788 1.635 . . . . 0.0 114.671 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 42.5 mt -65.2 -42.57 93.43 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 124.136 0.974 . . . . 0.0 110.84 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -62.0 -57.8 10.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 159.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 71.1 mtm -58.24 -61.97 2.18 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 123.519 2.872 . . . . 0.0 117.838 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 64.9 mtt85 -111.42 -10.14 14.21 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -167.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.87 -13.85 19.87 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.947 -1.096 . . . . 0.0 110.735 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.53 79.13 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 120.537 -1.352 . . . . 0.0 116.077 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 10.7 mt -97.66 123.54 50.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 118.815 1.308 . . . . 0.0 109.007 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -92.48 79.96 4.9 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 119.766 -1.834 . . . . 0.0 108.962 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 21.4 mtm -91.78 52.56 2.04 Favored 'General case' 0 C--N 1.344 0.336 0 O-C-N 119.913 -1.742 . . . . 0.0 109.663 178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -114.13 -34.25 5.42 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.473 -1.392 . . . . 0.0 112.674 -157.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 66.9 p -86.51 -161.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.193 0 O-C-N 120.913 -1.117 . . . . 0.0 109.597 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -59.17 120.06 8.5 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.892 1.677 . . . . 0.0 113.766 -174.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -122.41 95.51 4.67 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 171.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 162.14 27.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.979 1.312 . . . . 0.0 110.441 173.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 pp -58.98 -27.1 65.06 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.01 -2.307 . . . . 0.0 117.16 -171.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.59 -23.89 29.42 Favored 'General case' 0 C--N 1.341 0.221 0 O-C-N 119.449 -2.032 . . . . 0.0 111.644 170.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -67.57 -31.82 72.16 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 119.831 -1.793 . . . . 0.0 111.201 168.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 23.3 t -57.96 -39.76 73.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 O-C-N 120.369 -1.457 . . . . 0.0 114.271 164.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.88 -42.14 79.7 Favored Glycine 0 C--N 1.355 1.601 0 O-C-N 119.035 -2.291 . . . . 0.0 113.472 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -61.27 -39.92 92.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.119 2.168 . . . . 0.0 111.741 164.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.67 -35.11 73.79 Favored 'General case' 0 C--O 1.225 -0.23 0 O-C-N 119.715 -1.866 . . . . 0.0 112.788 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.32 -68.14 0.49 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.16 -0.963 . . . . 0.0 113.103 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -32.31 -59.84 0.29 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 160.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.2 t -62.63 -60.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.921 1.288 . . . . 0.0 113.048 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.6 m -45.33 -46.84 13.15 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 165.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -62.03 -47.38 85.02 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.233 -1.542 . . . . 0.0 110.345 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -55.68 -46.68 77.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 111.159 175.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -35.59 71.55 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.531 -1.355 . . . . 0.0 113.213 177.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.18 -39.99 86.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 119.791 -1.818 . . . . 0.0 113.028 177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -75.04 -17.09 60.56 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-N 122.665 2.484 . . . . 0.0 108.766 -177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -72.83 -39.66 66.4 Favored 'General case' 0 C--N 1.36 1.052 0 O-C-N 119.0 -2.313 . . . . 0.0 111.908 168.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 87.1 mt -54.2 -43.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 C-N-CA 125.679 1.592 . . . . 0.0 113.124 170.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.31 -43.7 97.1 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.563 1.545 . . . . 0.0 112.565 176.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -57.61 -27.34 62.68 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 125.461 1.504 . . . . 0.0 114.447 171.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -80.34 -54.76 5.42 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 120.565 -1.335 . . . . 0.0 108.372 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -53.07 -37.33 61.55 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.53 -1.08 25.55 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 -98.76 -45.11 6.14 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 168.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -57.56 -38.97 75.66 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.422 -1.423 . . . . 0.0 114.214 171.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 15.4 tp -94.05 100.61 12.7 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 125.376 1.47 . . . . 0.0 110.417 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -66.77 -27.35 67.52 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 175.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -61.36 129.59 91.07 Favored Pre-proline 0 C--N 1.354 0.803 0 CA-C-N 119.837 1.199 . . . . 0.0 111.616 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -66.75 172.32 9.66 Favored 'Trans proline' 0 CA--C 1.515 -0.429 0 C-N-CA 121.943 1.762 . . . . 0.0 115.175 -174.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 88.1 p -75.72 154.05 36.67 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 122.944 1.354 . . . . 0.0 110.826 167.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -84.05 161.3 20.74 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.919 1.288 . . . . 0.0 109.122 174.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 5.1 t -98.38 14.31 28.49 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -151.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -53.99 157.81 2.35 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 127.066 2.146 . . . . 0.0 114.833 168.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 61.3 t -91.21 131.64 37.82 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 O-C-N 120.526 -1.359 . . . . 0.0 107.638 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.27 74.2 0.05 Allowed 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 116.821 2.156 . . . . 0.0 116.821 -164.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 80.1 mmt-85 -134.2 -85.53 0.42 Allowed 'General case' 0 C--N 1.353 0.741 0 O-C-N 118.883 -2.385 . . . . 0.0 112.494 -176.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 20.0 t -151.57 -96.46 0.06 Allowed 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.407 -1.433 . . . . 0.0 111.822 -176.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -91.08 71.42 6.33 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 123.162 1.458 . . . . 0.0 110.413 -173.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.2 148.96 48.4 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.59 1.156 . . . . 0.0 109.607 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -136.55 138.01 40.84 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.718 1.207 . . . . 0.0 109.589 -174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 CA--C 1.564 1.482 0 O-C-N 120.037 -1.664 . . . . 0.0 109.889 166.162 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.4 m120 . . . . . 0 N--CA 1.437 -1.097 0 CA-C-O 122.269 1.033 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -87.05 173.22 9.42 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.853 -1.155 . . . . 0.0 113.084 177.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.469 ' OD1' ' HE1' ' A' ' 44' ' ' HIS . 75.6 m-20 -82.06 -21.85 36.68 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 124.811 1.244 . . . . 0.0 109.948 171.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.48 -39.31 22.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 C-N-CA 126.66 1.984 . . . . 0.0 113.254 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.74 -55.86 1.42 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 127.777 2.431 . . . . 0.0 115.774 172.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.2 m -71.55 -45.12 63.2 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 121.427 -0.796 . . . . 0.0 111.294 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 t -54.22 -54.9 17.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.715 0.806 . . . . 0.0 112.128 175.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -50.47 -42.72 54.84 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 129.406 3.082 . . . . 0.0 114.927 169.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -55.15 -56.18 22.75 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 126.117 1.767 . . . . 0.0 111.745 169.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mm -52.51 -47.14 48.5 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 124.104 0.962 . . . . 0.0 113.375 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.7 mm -58.49 -52.39 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.962 . . . . 0.0 111.07 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.1 m -60.14 -45.34 93.38 Favored 'General case' 0 C--N 1.343 0.315 0 O-C-N 121.142 -0.974 . . . . 0.0 113.368 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 p -80.91 -22.17 11.02 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 O-C-N 120.594 -1.316 . . . . 0.0 112.701 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.15 -19.94 58.02 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.463 -2.023 . . . . 0.0 112.488 168.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -73.39 -46.64 47.67 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.57 2.129 . . . . 0.0 107.745 -172.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.8 mt -32.89 -56.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 130.724 3.61 . . . . 0.0 115.159 156.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.9 mt -48.95 -51.9 27.77 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 124.758 1.223 . . . . 0.0 113.22 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.07 -51.39 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 C-N-CA 128.872 2.869 . . . . 0.0 109.763 -175.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -77.82 -40.93 38.87 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.291 -2.13 . . . . 0.0 110.107 -168.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.91 -62.91 1.43 Allowed 'General case' 0 C--N 1.359 1.005 0 C-N-CA 124.036 0.935 . . . . 0.0 113.189 -176.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 1.67 19.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 120.994 -1.066 . . . . 0.0 113.379 -172.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.332 64.5 mtt180 63.29 -119.69 0.54 Allowed 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.665 1.186 . . . . 0.0 113.581 177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -99.83 22.43 11.09 Favored 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 120.157 -1.589 . . . . 0.0 112.893 -172.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -59.65 -72.37 0.11 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 126.754 2.022 . . . . 0.0 113.263 173.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.47 -32.79 8.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.83 -1.168 . . . . 0.0 109.744 -172.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -44.02 -51.48 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 126.92 2.088 . . . . 0.0 113.695 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -47.0 -39.22 12.14 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -98.93 124.56 43.96 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.841 -1.162 . . . . 0.0 108.548 -157.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.42 -52.78 56.41 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -172.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.27 63.81 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.927 0.891 . . . . 0.0 113.205 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -56.1 -41.57 75.45 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.925 1.29 . . . . 0.0 112.133 -174.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -58.56 -48.74 79.9 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 120.49 -1.381 . . . . 0.0 112.114 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.9 mt -75.23 -36.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.363 1.165 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -169.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -48.72 -34.63 12.42 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 127.37 2.268 . . . . 0.0 115.631 171.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.23 -40.44 77.94 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 123.394 0.678 . . . . 0.0 111.359 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.87 -34.7 78.75 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 120.862 -1.149 . . . . 0.0 110.954 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.48 -59.47 3.96 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.555 -1.34 . . . . 0.0 111.792 171.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -35.63 -52.29 0.67 Allowed 'General case' 0 C--N 1.353 0.734 0 C-N-CA 128.302 2.641 . . . . 0.0 118.077 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.283 0.2 OUTLIER -89.41 -15.62 8.79 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 119.562 -1.961 . . . . 0.0 113.875 177.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.03 55.39 2.52 Favored Glycine 0 C--N 1.344 1.015 0 O-C-N 120.254 -1.529 . . . . 0.0 113.955 172.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -92.92 144.12 10.03 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 167.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.9 p -145.44 169.91 17.4 Favored 'General case' 0 CA--C 1.507 -0.68 0 O-C-N 120.047 -1.658 . . . . 0.0 110.487 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.469 ' HE1' ' OD1' ' A' ' 4' ' ' ASN . 75.5 t60 -138.12 136.52 36.8 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 168.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 57.42 23.01 8.52 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 124.014 1.864 . . . . 0.0 112.965 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.39 7.72 82.92 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 119.043 -2.286 . . . . 0.0 114.494 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -98.36 139.79 33.59 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.397 1.879 . . . . 0.0 109.771 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -76.97 148.34 36.36 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 120.927 -1.108 . . . . 0.0 108.813 173.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.2 mt -79.88 87.26 5.34 Favored 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 119.721 -1.862 . . . . 0.0 115.875 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.81 170.89 12.67 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 147.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -59.02 -32.27 69.58 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -55.17 -53.89 50.29 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 125.755 1.622 . . . . 0.0 113.017 172.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.1 m -61.64 -51.13 69.75 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 121.584 -0.698 . . . . 0.0 111.738 171.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -55.4 -56.87 15.16 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 125.635 1.574 . . . . 0.0 114.192 -170.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -79.54 -26.49 41.44 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.804 -1.185 . . . . 0.0 111.432 -174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.0 -48.16 81.54 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.425 1.09 . . . . 0.0 112.461 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.8 pt -62.76 -33.44 60.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.7 t -72.43 -56.77 8.84 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 C-N-CA 127.535 2.334 . . . . 0.0 112.601 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.7 m -50.25 -63.73 1.03 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 127.088 2.155 . . . . 0.0 115.069 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -90.28 24.26 2.61 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 120.817 -1.177 . . . . 0.0 112.251 -163.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.3 151.41 47.12 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 119.868 -1.77 . . . . 0.0 111.009 158.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.78 171.07 15.0 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.797 1.639 . . . . 0.0 108.794 166.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -67.95 -47.91 67.36 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 119.96 -1.712 . . . . 0.0 115.145 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -70.1 -43.0 71.96 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.3 -1.5 . . . . 0.0 113.786 -173.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -35.05 -68.12 0.13 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.349 2.66 . . . . 0.0 116.912 156.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -33.31 75.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.219 -1.55 . . . . 0.0 114.149 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -74.01 -26.56 60.51 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 120.86 -1.15 . . . . 0.0 111.394 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 98.7 m -57.22 -41.21 79.07 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 120.023 -1.673 . . . . 0.0 112.624 165.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 82.9 mt -60.98 -53.92 51.37 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 120.82 -1.175 . . . . 0.0 112.433 169.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -49.16 -54.87 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.596 1.558 . . . . 0.0 112.496 173.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.59 -36.43 66.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 O-C-N 120.252 -1.53 . . . . 0.0 114.51 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -79.8 -56.93 3.92 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 120.916 -1.115 . . . . 0.0 112.8 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -119.8 88.52 2.95 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.862 -1.149 . . . . 0.0 109.987 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -64.47 -64.18 0.94 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 121.017 -1.052 . . . . 0.0 110.055 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.9 mp0 -65.65 -31.31 72.26 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.828 1.651 . . . . 0.0 111.857 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.13 -48.24 72.56 Favored Glycine 0 C--N 1.347 1.183 0 O-C-N 121.089 -1.007 . . . . 0.0 113.326 174.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -71.0 -47.95 55.89 Favored 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.699 -1.471 . . . . 0.0 111.354 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.11 -44.14 74.68 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 125.103 1.361 . . . . 0.0 112.3 178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.61 -57.46 17.49 Favored Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.837 1.684 . . . . 0.0 115.279 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -71.84 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 120.08 1.94 . . . . 0.0 112.139 -168.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -15.73 -73.56 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 148.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -70.35 -44.65 67.72 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.084 -1.635 . . . . 0.0 113.501 -172.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -63.78 -47.03 82.57 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.438 1.017 . . . . 0.0 113.325 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -51.64 68.85 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.721 -1.237 . . . . 0.0 112.346 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.66 -9.78 58.91 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.947 -1.096 . . . . 0.0 113.209 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -81.07 -49.54 10.76 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.365 -1.46 . . . . 0.0 111.202 168.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.47 -54.89 16.34 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.746 1.218 . . . . 0.0 112.673 176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.0 p -84.41 85.73 7.36 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.697 1.237 . . . . 0.0 111.56 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -70.54 151.88 44.58 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.232 -1.542 . . . . 0.0 111.859 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 C--N 1.357 0.912 0 O-C-N 120.193 -1.567 . . . . 0.0 112.576 -164.764 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.63 -46.7 72.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 C-N-CA 125.033 1.333 . . . . 0.0 113.592 169.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 24.0 tp -55.38 -42.43 73.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 124.952 1.301 . . . . 0.0 114.008 174.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -83.44 -24.41 31.86 Favored 'General case' 0 C--N 1.36 1.029 0 O-C-N 120.661 -1.274 . . . . 0.0 111.604 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 137.31 -30.54 2.61 Favored Glycine 0 C--N 1.348 1.213 0 O-C-N 120.321 -1.487 . . . . 0.0 113.795 162.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.85 138.61 32.45 Favored 'General case' 0 CA--C 1.508 -0.641 0 O-C-N 121.11 -1.229 . . . . 0.0 113.843 -165.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 4.3 m -76.08 155.31 34.89 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 119.995 -1.691 . . . . 0.0 112.15 173.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -29.35 -47.02 0.06 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 158.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -73.56 -28.66 61.97 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 119.406 -2.059 . . . . 0.0 113.168 -175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -77.84 -34.66 51.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.31 2.244 . . . . 0.0 109.401 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -65.85 -33.07 75.0 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.809 -1.182 . . . . 0.0 111.795 166.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -66.3 -37.89 86.46 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.057 -1.652 . . . . 0.0 110.67 176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.06 -39.28 57.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 O-C-N 119.494 -2.004 . . . . 0.0 114.751 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.58 -47.06 77.06 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.308 1.443 . . . . 0.0 110.902 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -61.8 -42.94 99.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.042 1.737 . . . . 0.0 113.438 166.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 89.2 mtp -74.99 -66.85 0.71 Allowed 'General case' 0 CA--C 1.531 0.232 0 O-C-N 117.245 -3.41 . . . . 0.0 114.803 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -91.79 -41.3 10.74 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.831 -1.168 . . . . 0.0 111.947 -165.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -71.08 -24.95 62.42 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.488 -0.758 . . . . 0.0 111.222 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.18 29.32 56.74 Favored Glycine 0 C--N 1.346 1.106 0 O-C-N 121.143 -0.973 . . . . 0.0 115.483 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 55.6 mt -101.91 126.75 55.84 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 118.966 1.383 . . . . 0.0 109.633 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -86.96 85.27 7.25 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 120.732 -1.23 . . . . 0.0 111.484 -176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -93.86 64.79 3.47 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.105 -1.622 . . . . 0.0 111.112 171.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -120.74 -20.24 7.08 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.411 -1.431 . . . . 0.0 112.705 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 55.0 p -97.14 -152.13 0.38 Allowed 'General case' 0 C--N 1.344 0.363 0 O-C-N 120.504 -1.373 . . . . 0.0 111.325 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -70.24 113.45 7.42 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.537 2.335 . . . . 0.0 112.011 -166.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -127.4 85.06 2.32 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.986 -1.071 . . . . 0.0 110.127 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.95 170.79 9.1 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.132 1.373 . . . . 0.0 111.915 173.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 41.2 tp -80.56 -23.51 39.88 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 119.028 -2.295 . . . . 0.0 111.644 -159.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -70.03 -41.97 73.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 120.283 -1.511 . . . . 0.0 111.317 164.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -61.42 -40.64 95.16 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 126.175 1.79 . . . . 0.0 113.857 175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 88.2 t -55.77 -45.59 79.51 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 O-C-N 120.305 -1.497 . . . . 0.0 114.335 164.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.31 -36.94 93.77 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 120.151 -1.593 . . . . 0.0 112.747 172.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -77.82 -24.03 48.85 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.973 -1.31 . . . . 0.0 109.412 -172.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -76.29 -18.52 58.93 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.913 -1.742 . . . . 0.0 112.641 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -20.58 56.56 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.535 -1.978 . . . . 0.0 113.614 170.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -68.67 -72.41 0.18 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.428 1.091 . . . . 0.0 112.727 150.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 63.0 t -61.72 -67.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 126.066 1.747 . . . . 0.0 113.686 -165.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 91.2 m -49.38 -32.52 11.65 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 117.009 2.226 . . . . 0.0 117.009 167.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -69.36 -48.73 60.41 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 117.968 -2.957 . . . . 0.0 111.315 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -49.83 -43.61 48.88 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 125.909 1.683 . . . . 0.0 112.606 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -53.33 -43.94 68.04 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 125.103 1.361 . . . . 0.0 113.94 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.7 -43.42 87.66 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 O-C-N 120.623 -1.298 . . . . 0.0 111.152 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -19.68 61.14 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.74 -1.85 . . . . 0.0 109.893 -174.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -76.66 -37.5 56.13 Favored 'General case' 0 C--N 1.347 0.499 0 C-N-CA 125.445 1.498 . . . . 0.0 112.805 166.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 88.9 mt -57.74 -44.84 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 119.097 -2.252 . . . . 0.0 112.68 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.86 -55.08 29.92 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 130.178 3.391 . . . . 0.0 111.062 174.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -39.9 -40.89 1.08 Allowed 'General case' 0 C--N 1.353 0.722 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 170.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -44.98 17.6 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 120.392 -1.443 . . . . 0.0 112.104 176.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . 0.4 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -55.48 -40.35 71.55 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 53.4 mt -64.47 -16.83 63.14 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 174.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -96.65 -33.95 11.57 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.282 1.433 . . . . 0.0 108.031 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -65.6 -30.69 71.45 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 120.347 -1.47 . . . . 0.0 114.625 169.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 7.4 tt -91.82 100.2 12.93 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-O 123.097 1.427 . . . . 0.0 111.992 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -50.28 -66.83 0.32 Allowed 'General case' 0 C--N 1.35 0.618 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -83.18 148.93 57.48 Favored Pre-proline 0 C--N 1.346 0.427 0 O-C-N 120.216 -1.553 . . . . 0.0 113.734 -160.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -70.02 151.24 67.51 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 121.764 1.643 . . . . 0.0 114.984 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 84.1 p -166.92 -28.06 0.03 OUTLIER 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.44 1.496 . . . . 0.0 110.422 171.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -76.4 94.37 3.63 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 121.111 -0.993 . . . . 0.0 111.743 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 16.0 m -80.83 -24.54 38.37 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 123.685 0.794 . . . . 0.0 111.47 171.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -73.44 79.17 1.41 Allowed 'General case' 0 C--N 1.347 0.471 0 C-N-CA 125.52 1.528 . . . . 0.0 114.758 -171.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.08 121.91 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 167.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 92.5 mt -102.99 121.01 41.67 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.086 -2.259 . . . . 0.0 110.239 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -120.96 -53.03 2.07 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.674 -1.266 . . . . 0.0 112.696 -171.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 7.3 t -75.35 92.11 2.77 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -158.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 31.44 51.71 0.16 Allowed 'General case' 0 C--N 1.351 0.669 0 C-N-CA 129.293 3.037 . . . . 0.0 118.243 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.85 108.91 16.53 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 128.006 2.522 . . . . 0.0 112.382 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 14.8 t0 59.82 54.53 4.3 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 125.182 1.393 . . . . 0.0 114.046 167.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 6.5 p30 . . . . . 0 N--CA 1.44 -0.944 0 O-C-N 120.828 -1.17 . . . . 0.0 108.861 178.191 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 62.2 t30 . . . . . 0 N--CA 1.44 -0.949 0 CA-C-O 124.78 2.228 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -136.74 149.4 47.83 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 111.026 -2.806 . . . . 0.0 108.352 164.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -107.94 -52.03 2.82 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.992 -1.068 . . . . 0.0 108.57 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.9 tp -70.03 -12.09 15.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.553 -1.342 . . . . 0.0 112.775 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -86.48 1.22 52.26 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 118.668 -2.52 . . . . 0.0 112.346 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.9 m -103.91 -47.61 4.15 Favored 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.914 -2.624 . . . . 0.0 103.914 173.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.0 t -49.39 -51.12 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.711 1.604 . . . . 0.0 110.874 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -47.0 65.88 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.988 -1.695 . . . . 0.0 115.406 167.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.02 -64.35 0.86 Allowed 'General case' 0 C--N 1.354 0.785 0 C-N-CA 125.082 1.353 . . . . 0.0 113.08 171.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.5 mt -45.54 -47.72 4.36 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 126.986 2.114 . . . . 0.0 113.774 173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.4 mm -68.44 -37.78 78.32 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 O-C-N 121.626 -0.671 . . . . 0.0 110.735 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.8 m -58.25 -55.56 33.39 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.748 -1.22 . . . . 0.0 112.851 169.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -63.95 -43.42 97.68 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 123.095 1.426 . . . . 0.0 112.292 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -14.4 62.87 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.635 1.174 . . . . 0.0 113.027 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -70.1 -60.4 2.31 Favored 'General case' 0 C--N 1.361 1.093 0 CA-C-O 125.663 2.649 . . . . 0.0 106.991 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 mt -27.49 -51.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.974 1 C-N-CA 133.161 4.584 . . . . 0.0 115.474 158.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -45.95 -51.01 14.07 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.252 1.421 . . . . 0.0 111.877 174.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.69 -50.5 33.44 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.596 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -50.94 -45.78 60.74 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -170.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -97.25 -52.43 3.82 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.279 1.432 . . . . 0.0 111.539 -174.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.283 73.8 m -82.04 -34.97 29.25 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -171.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.495 26.1 mmt180 73.62 -126.58 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 128.064 2.546 . . . . 0.0 113.426 -154.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -98.99 12.65 35.34 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 118.468 -2.645 . . . . 0.0 115.8 -165.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -50.84 -50.64 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 172.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.05 -48.0 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.961 0.801 . . . . 0.0 110.295 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.41 HG23 ' H ' ' A' ' 27' ' ' VAL . 2.1 t -48.99 -52.34 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 C-N-CA 127.686 2.395 . . . . 0.0 116.518 -171.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -38.88 -43.39 0.94 Allowed 'General case' 0 C--N 1.349 0.553 0 N-CA-C 118.463 2.764 . . . . 0.0 118.463 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -99.74 127.3 45.87 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 119.86 1.209 . . . . 0.0 108.825 -174.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -63.68 -44.56 93.34 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.91 1.284 . . . . 0.0 113.205 -172.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.95 -57.32 12.16 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.951 -1.093 . . . . 0.0 112.837 174.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -50.23 -40.47 47.69 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 126.48 1.912 . . . . 0.0 114.455 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.44 -52.43 53.21 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 126.409 1.883 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -76.73 -46.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -166.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.48 -20.3 1.8 Allowed 'General case' 0 C--N 1.365 1.247 0 C-N-CA 128.451 2.701 . . . . 0.0 116.715 173.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -67.97 -38.19 82.46 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.891 1.277 . . . . 0.0 110.297 173.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.8 mt -79.01 7.03 7.97 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.328 1.851 . . . . 0.0 111.967 170.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -103.76 -58.78 1.82 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.654 -1.98 . . . . 0.0 105.654 173.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -27.9 -51.96 0.08 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 118.904 2.927 . . . . 0.0 118.904 164.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.56 -5.35 9.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 124.511 1.124 . . . . 0.0 110.908 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.29 65.35 1.95 Allowed Glycine 0 C--N 1.352 1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 115.625 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.0 t -101.18 120.36 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 81.9 p -120.67 169.73 10.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.828 1.299 . . . . 0.0 111.92 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -163.39 125.12 2.46 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 116.903 -1.522 . . . . 0.0 107.369 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.321 4.9 mm-40 76.92 -0.46 2.97 Favored 'General case' 0 C--N 1.36 1.049 0 CA-C-N 123.737 2.971 . . . . 0.0 112.468 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.08 3.37 38.99 Favored Glycine 0 C--N 1.34 0.755 0 C-N-CA 126.546 2.022 . . . . 0.0 112.596 173.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -110.66 146.02 36.94 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 121.463 -1.022 . . . . 0.0 110.516 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -73.75 125.72 28.75 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 158.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -78.24 92.63 4.5 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-O 123.113 1.435 . . . . 0.0 114.298 -168.292 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -75.2 -178.24 3.82 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 120.887 -1.133 . . . . 0.0 111.536 169.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -34.63 -63.91 0.28 Allowed 'General case' 0 C--N 1.352 0.703 0 C-N-CA 128.388 2.675 . . . . 0.0 116.8 -173.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -43.09 -68.04 0.23 Allowed 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 129.972 3.309 . . . . 0.0 115.058 166.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -36.07 83.16 Favored 'General case' 0 CA--C 1.513 -0.469 0 C-N-CA 125.168 1.387 . . . . 0.0 112.583 -166.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.24 -58.17 8.73 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 125.897 1.679 . . . . 0.0 112.956 173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.7 mtm-85 -65.58 -33.55 76.17 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.221 -1.549 . . . . 0.0 113.271 -177.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -57.52 -57.66 11.72 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.082 0.953 . . . . 0.0 113.349 171.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -40.59 87.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.871 -1.143 . . . . 0.0 112.155 -178.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.9 t -76.05 -23.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 O-C-N 121.134 -0.979 . . . . 0.0 109.257 -172.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 t -79.53 -48.45 13.83 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 119.687 -1.883 . . . . 0.0 110.176 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -88.1 6.54 35.86 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -162.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -75.93 -179.29 4.78 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.597 -1.314 . . . . 0.0 114.094 -177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -89.73 150.57 22.25 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 122.958 1.361 . . . . 0.0 112.215 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -68.53 -43.41 76.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.122 2.169 . . . . 0.0 115.664 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -69.66 -57.47 5.12 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 120.043 -1.661 . . . . 0.0 112.987 -174.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -24.45 -51.08 0.03 OUTLIER 'General case' 0 C--N 1.347 0.491 0 N-CA-C 119.481 3.141 . . . . 0.0 119.481 157.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -88.49 -21.29 24.25 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.802 -1.811 . . . . 0.0 110.325 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -81.4 -33.31 32.33 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 122.396 1.093 . . . . 0.0 108.474 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 57.7 m -58.3 -46.05 86.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 125.95 1.7 . . . . 0.0 111.405 169.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.9 -32.06 63.39 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 164.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.8 mt -89.38 -35.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 -165.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -61.88 -39.59 92.47 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.972 1.309 . . . . 0.0 111.984 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -71.8 -55.28 7.87 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 120.571 -1.331 . . . . 0.0 112.514 170.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -119.42 96.12 5.08 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.183 -0.948 . . . . 0.0 112.651 -176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -71.55 -54.03 11.85 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.395 -1.441 . . . . 0.0 112.47 176.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.12 -36.16 83.13 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.953 -1.092 . . . . 0.0 111.857 173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.88 -62.47 5.46 Favored Glycine 0 C--N 1.346 1.122 0 CA-C-N 116.083 -0.508 . . . . 0.0 113.052 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -76.01 -59.71 2.64 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.599 -1.53 . . . . 0.0 112.231 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.01 -33.93 74.45 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 119.749 -1.845 . . . . 0.0 113.411 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.35 -49.02 46.43 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 121.32 1.873 . . . . 0.0 114.01 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.04 -50.74 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 O-C-N 120.89 -1.359 . . . . 0.0 113.264 172.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -45.62 -50.2 13.52 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 127.308 2.243 . . . . 0.0 116.234 171.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -63.5 -45.12 92.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.254 1.422 . . . . 0.0 110.473 -176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -69.53 -38.26 77.45 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.868 -1.145 . . . . 0.0 113.881 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.82 -44.77 96.19 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 120.326 -1.484 . . . . 0.0 112.442 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.79 -42.8 94.19 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 125.71 1.604 . . . . 0.0 112.542 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 62.1 tpp -64.74 -55.39 20.19 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.038 1.335 . . . . 0.0 114.044 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -82.76 -35.76 26.31 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 113.605 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.87 97.87 10.68 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 120.887 -1.133 . . . . 0.0 109.441 -172.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -100.15 103.0 14.45 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 120.701 -1.249 . . . . 0.0 112.487 -166.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--N 1.355 0.845 0 C-N-CA 126.033 1.733 . . . . 0.0 113.932 177.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.26 49.3 p-10 . . . . . 0 N--CA 1.467 0.382 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.6 t -42.1 -44.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 113.598 154.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.04 -74.74 0.1 Allowed 'General case' 0 C--N 1.35 0.623 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 173.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -90.5 -20.89 22.18 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.769 2.077 . . . . 0.0 114.114 -168.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 116.77 -15.49 14.14 Favored Glycine 0 C--N 1.359 1.817 0 CA-C-N 121.228 1.831 . . . . 0.0 114.832 166.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.11 132.82 34.66 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 124.669 2.176 . . . . 0.0 115.435 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.1 m -73.13 152.72 41.05 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 112.638 -2.073 . . . . 0.0 111.772 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -53.56 -32.88 52.68 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 119.838 -1.789 . . . . 0.0 113.719 169.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.79 -38.03 89.58 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 123.034 1.397 . . . . 0.0 112.741 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -74.36 -40.64 62.0 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 126.406 1.882 . . . . 0.0 111.123 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.74 72.15 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.237 1.015 . . . . 0.0 112.996 176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -45.27 -64.23 0.77 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.239 1.416 . . . . 0.0 113.346 163.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 3.4 p -67.81 -22.53 28.28 Favored 'Isoleucine or valine' 0 C--N 1.363 1.174 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -171.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 50.4 mt -58.95 -44.91 91.53 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.494 1.117 . . . . 0.0 111.966 173.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -91.5 -0.53 57.62 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 120.336 -1.478 . . . . 0.0 114.484 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 75.9 mtm -87.7 -61.53 1.7 Allowed 'General case' 0 C--N 1.343 0.308 0 O-C-N 119.908 -1.745 . . . . 0.0 109.727 169.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -89.95 -57.87 2.71 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 124.628 1.171 . . . . 0.0 113.264 -174.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -68.07 -25.53 65.39 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.708 1.203 . . . . 0.0 112.399 -165.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.91 35.85 34.01 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 120.759 -1.213 . . . . 0.0 114.891 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 69.4 mt -109.3 124.38 65.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.346 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 170.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -82.01 138.25 34.93 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.058 0.943 . . . . 0.0 110.673 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.11 76.87 1.59 Allowed 'General case' 0 C--N 1.349 0.547 0 O-C-N 121.353 -0.842 . . . . 0.0 110.227 171.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -124.69 57.56 1.26 Allowed 'General case' 0 C--N 1.346 0.423 0 O-C-N 120.517 -1.365 . . . . 0.0 107.373 161.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.29 169.34 13.64 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.815 -1.178 . . . . 0.0 110.89 -170.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -64.6 128.36 35.47 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 127.799 2.44 . . . . 0.0 111.88 160.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -123.94 114.26 19.56 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.274 0.629 . . . . 0.0 111.269 -174.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.0 p -86.52 -176.95 6.05 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 158.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.01 -10.85 58.56 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.595 -1.316 . . . . 0.0 111.057 171.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -82.55 -35.41 27.23 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 120.271 -1.518 . . . . 0.0 109.286 173.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.68 -43.7 97.4 Favored 'General case' 0 C--N 1.359 1.016 0 O-C-N 120.347 -1.471 . . . . 0.0 112.145 170.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 59.7 t -50.24 -41.23 18.68 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 O-C-N 120.698 -1.251 . . . . 0.0 113.675 167.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -67.09 -33.47 83.51 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 119.543 -1.973 . . . . 0.0 114.83 174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -70.99 -37.75 72.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.434 2.294 . . . . 0.0 111.535 169.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.99 -29.14 70.59 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 119.185 -2.197 . . . . 0.0 112.693 168.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -51.99 22.85 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 125.566 1.546 . . . . 0.0 112.214 173.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -49.1 -38.21 23.94 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 116.85 2.167 . . . . 0.0 116.85 167.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.17 -72.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 121.633 -0.667 . . . . 0.0 109.713 170.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 11.3 m -42.8 -54.28 4.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.434 2.753 . . . . 0.0 118.434 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -64.92 -45.35 86.2 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 120.797 1.635 . . . . 0.0 110.393 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.24 -42.13 89.02 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -56.0 -35.96 67.38 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 119.687 -1.883 . . . . 0.0 113.492 171.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 27.4 mt -60.24 -34.73 58.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 O-C-N 120.022 -1.674 . . . . 0.0 112.126 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -77.64 -21.7 51.82 Favored 'General case' 0 C--N 1.37 1.488 0 CA-C-N 121.487 1.949 . . . . 0.0 109.775 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -65.95 -37.97 87.41 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 118.695 -2.503 . . . . 0.0 112.136 164.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.33 -47.27 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 O-C-N 120.582 -1.324 . . . . 0.0 113.161 166.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.79 -54.05 47.24 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 124.785 1.234 . . . . 0.0 111.067 174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -49.88 -49.34 49.85 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 127.298 2.239 . . . . 0.0 113.591 176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -69.65 -44.82 69.77 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 121.106 -0.996 . . . . 0.0 112.106 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.29 68.58 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.403 -1.435 . . . . 0.0 114.693 174.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 68.6 mt -75.8 -14.16 60.3 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 120.51 -1.369 . . . . 0.0 113.876 174.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -89.05 -37.76 14.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.916 2.087 . . . . 0.0 108.846 170.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -65.36 -22.44 66.8 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 28.1 mt -78.86 158.45 28.12 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.505 1.621 . . . . 0.0 112.296 172.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 -54.19 2.51 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 126.383 1.873 . . . . 0.0 109.017 -160.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -80.92 140.59 50.3 Favored Pre-proline 0 N--CA 1.449 -0.524 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 156.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.17 163.13 40.23 Favored 'Trans proline' 0 C--N 1.322 -0.836 0 CA-C-N 122.795 2.034 . . . . 0.0 109.976 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 81.0 p -98.71 -44.55 6.37 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-O 118.694 -0.67 . . . . 0.0 110.534 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.04 106.16 10.88 Favored 'General case' 0 C--N 1.37 1.47 0 CA-C-O 123.285 1.517 . . . . 0.0 107.793 -176.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 30.4 p -80.74 -57.25 3.64 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 126.877 2.071 . . . . 0.0 111.485 -169.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.88 155.81 39.98 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 124.439 1.096 . . . . 0.0 111.585 177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.11 116.6 11.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 O-C-N 120.366 -1.459 . . . . 0.0 109.719 169.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.11 -166.22 1.21 Allowed 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.754 -1.216 . . . . 0.0 109.558 171.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -69.22 -6.86 31.79 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.1 -1.625 . . . . 0.0 113.564 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 1.1 p -63.32 -35.47 80.47 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.392 -1.443 . . . . 0.0 114.867 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 12.4 m-30 -89.54 -7.53 54.69 Favored 'General case' 0 C--N 1.372 1.58 0 CA-C-N 120.555 1.525 . . . . 0.0 109.953 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 10.4 mp -78.37 160.86 27.56 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 123.077 1.418 . . . . 0.0 111.109 -176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 27.3 p30 -108.92 -136.22 0.36 Allowed 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 124.746 1.218 . . . . 0.0 111.572 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.439 -1.019 0 O-C-N 120.558 -1.338 . . . . 0.0 109.728 176.576 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 m120 . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -136.37 161.16 36.59 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 120.314 -1.491 . . . . 0.0 109.566 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 37.1 p30 -52.48 -27.93 18.26 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 171.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.49 -33.57 64.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.307 -1.496 . . . . 0.0 110.59 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.02 -43.82 94.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 127.17 2.188 . . . . 0.0 111.86 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -59.28 -47.42 85.43 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 125.315 1.446 . . . . 0.0 111.556 170.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.26 90.3 t -57.45 -49.53 79.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 C-N-CA 124.832 1.253 . . . . 0.0 111.659 175.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -47.7 -44.75 27.89 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.186 -1.571 . . . . 0.0 114.489 167.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -61.51 -61.18 2.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 124.012 0.925 . . . . 0.0 112.39 170.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.2 mt -42.63 -50.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.154 0 C-N-CA 127.442 2.297 . . . . 0.0 113.664 176.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mm -65.3 -46.7 89.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.243 0 C-N-CA 125.45 1.5 . . . . 0.0 111.545 178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.6 m -62.94 -52.24 63.82 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.426 -1.421 . . . . 0.0 113.641 174.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -69.62 -32.23 51.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 O-C-N 120.286 -1.509 . . . . 0.0 112.135 -175.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -20.98 61.17 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 119.922 -1.737 . . . . 0.0 113.058 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.0 m -70.33 -45.19 66.68 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 120.27 -1.518 . . . . 0.0 108.13 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.5 mt -37.03 -63.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 128.876 2.87 . . . . 0.0 114.232 160.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.1 mt -49.77 -47.24 51.13 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 123.62 1.676 . . . . 0.0 113.376 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.8 mm -60.81 -57.77 10.53 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 C-N-CA 128.771 2.828 . . . . 0.0 113.316 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mptm? -68.58 -45.48 71.92 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 118.47 -2.644 . . . . 0.0 110.98 -172.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -73.59 -51.83 15.52 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.035 -0.984 . . . . 0.0 112.254 -174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -116.83 -11.52 10.88 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.011 -1.056 . . . . 0.0 113.468 -170.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.296 8.3 tpp180 48.46 -116.75 0.84 Allowed 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.771 2.028 . . . . 0.0 116.186 176.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -92.43 -2.68 56.12 Favored 'General case' 0 CA--C 1.504 -0.817 0 O-C-N 119.987 -1.696 . . . . 0.0 112.251 -170.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.64 -55.66 21.79 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.44 1.496 . . . . 0.0 110.631 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.7 pt -87.93 -48.85 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.371 0 O-C-N 120.612 -1.305 . . . . 0.0 112.042 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -40.72 -44.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 128.541 2.736 . . . . 0.0 116.325 174.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -52.25 -28.91 20.51 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 -177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -90.27 96.14 10.52 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -170.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.43 73.15 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 119.391 -2.068 . . . . 0.0 114.745 -161.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -50.57 67.61 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 120.031 -1.668 . . . . 0.0 114.162 166.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -54.39 -43.28 71.28 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 125.212 1.405 . . . . 0.0 114.77 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -54.84 -49.81 70.16 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.158 0.983 . . . . 0.0 111.738 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -73.07 -37.14 52.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.736 0 CA-C-O 122.763 1.268 . . . . 0.0 107.963 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.62 -27.25 57.88 Favored 'General case' 0 C--N 1.364 1.214 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -33.06 74.25 Favored 'General case' 0 C--N 1.35 0.616 0 C-N-CA 124.886 1.274 . . . . 0.0 110.686 177.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -71.25 -40.82 70.77 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 122.68 1.228 . . . . 0.0 111.06 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -67.15 -37.98 84.72 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.344 -2.097 . . . . 0.0 112.763 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.98 -53.04 2.41 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 128.778 2.831 . . . . 0.0 114.834 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.38 -15.98 7.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 58.61 2.11 Favored Glycine 0 C--N 1.346 1.093 0 O-C-N 119.261 -2.15 . . . . 0.0 115.447 171.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.61 126.84 51.64 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 48' ' ' LYS . 70.4 p -117.84 171.84 7.78 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 119.923 -1.735 . . . . 0.0 112.257 -176.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -144.55 149.46 35.89 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 166.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 60.2 0.17 0.28 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 116.451 2.019 . . . . 0.0 116.451 -176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.49 -16.7 44.33 Favored Glycine 0 C--N 1.351 1.385 0 O-C-N 120.567 -1.333 . . . . 0.0 111.862 -172.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -98.2 141.47 31.07 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 123.993 0.917 . . . . 0.0 110.557 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' HA ' HG22 ' A' ' 43' ' ' THR . 63.5 mttm -74.43 122.41 22.96 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 173.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.313 0.8 OUTLIER -74.63 82.87 2.05 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 123.654 1.693 . . . . 0.0 114.479 -164.281 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -71.91 170.97 12.62 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 120.853 -1.154 . . . . 0.0 110.189 168.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -42.02 -45.79 3.98 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 127.59 2.356 . . . . 0.0 116.833 -170.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -50.71 -64.12 0.91 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.322 1.849 . . . . 0.0 113.389 168.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.5 m -66.2 -32.78 74.42 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.553 -1.342 . . . . 0.0 113.076 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -63.09 -42.19 99.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 120.972 -1.08 . . . . 0.0 113.573 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -76.35 -30.44 57.61 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.132 -1.605 . . . . 0.0 110.385 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -59.48 -53.62 56.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 125.135 1.374 . . . . 0.0 113.855 178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -32.53 57.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -172.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 t -79.44 -41.95 22.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 C-N-CA 127.882 2.473 . . . . 0.0 112.655 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 80.2 p -65.38 -28.77 69.5 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.137 -1.602 . . . . 0.0 114.842 167.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.62 -22.09 1.87 Allowed 'General case' 0 C--N 1.349 0.554 0 N-CA-C 117.146 2.276 . . . . 0.0 117.146 165.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.26 138.17 53.69 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.915 -1.74 . . . . 0.0 113.234 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.46 178.59 6.48 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.108 0.963 . . . . 0.0 108.961 173.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -62.89 -51.59 66.37 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 119.369 -2.082 . . . . 0.0 115.396 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -67.1 -59.31 3.57 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 122.721 1.248 . . . . 0.0 113.1 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.251 1.7 m-20 -11.86 -77.24 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.77 3.228 . . . . 0.0 118.144 147.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -61.63 -37.72 85.04 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.366 -1.459 . . . . 0.0 114.387 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.359 1.003 0 O-C-N 121.214 -0.929 . . . . 0.0 110.842 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.2 m -52.56 -47.51 66.74 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 127.036 2.135 . . . . 0.0 113.474 168.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.96 -42.34 73.31 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.829 -1.169 . . . . 0.0 111.994 176.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 14.7 mt -48.12 -48.98 12.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 C-N-CA 126.069 1.748 . . . . 0.0 112.35 165.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.17 -33.59 74.8 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.538 -1.351 . . . . 0.0 114.107 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.57 -69.04 0.45 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.467 1.107 . . . . 0.0 113.176 174.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -119.68 96.27 5.12 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 121.225 -0.922 . . . . 0.0 111.652 -163.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -64.9 -58.98 4.72 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.632 1.173 . . . . 0.0 113.212 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.8 -34.44 77.82 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.663 -1.273 . . . . 0.0 112.09 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -67.1 -50.51 45.54 Favored Glycine 0 C--N 1.344 1.018 0 O-C-N 120.918 -1.114 . . . . 0.0 113.528 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -78.57 -63.02 1.5 Allowed 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.864 -1.374 . . . . 0.0 111.797 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -62.88 -27.85 69.63 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 120.659 -1.276 . . . . 0.0 113.216 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.31 -56.37 20.49 Favored Glycine 0 C--N 1.348 1.221 0 O-C-N 121.435 -0.79 . . . . 0.0 113.038 175.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.88 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 CA-C-N 120.372 2.086 . . . . 0.0 112.169 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -44.05 -61.2 1.55 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 128.361 2.664 . . . . 0.0 113.788 162.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -58.83 -41.65 87.41 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -69.55 -41.41 75.94 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.904 -1.122 . . . . 0.0 111.501 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.1 tp -53.81 -59.27 4.84 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.649 1.58 . . . . 0.0 114.578 -178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -72.9 -20.31 61.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 121.267 -0.896 . . . . 0.0 112.298 -176.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -71.51 -63.52 1.1 Allowed 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 121.226 -0.921 . . . . 0.0 111.66 170.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.29 -9.6 57.49 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 116.517 2.043 . . . . 0.0 116.517 -167.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 t -83.62 144.67 29.29 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.896 -1.752 . . . . 0.0 113.166 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.45 125.99 17.94 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.707 1.603 . . . . 0.0 114.925 168.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 N--CA 1.451 -0.418 0 O-C-N 120.912 -1.117 . . . . 0.0 109.969 173.83 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 C--O 1.236 0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.11 -44.71 83.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 O-C-N 120.946 -1.096 . . . . 0.0 111.072 173.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.76 -56.51 20.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . 0.406 ' HB2' HG11 ' B' ' 576' ' ' VAL . . . -78.81 -25.0 44.2 Favored 'General case' 0 C--N 1.372 1.56 0 CA-C-N 122.244 2.293 . . . . 0.0 112.579 -172.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 115.36 -11.15 19.5 Favored Glycine 0 CA--C 1.496 -1.129 0 O-C-N 120.962 -1.086 . . . . 0.0 113.603 166.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.97 131.81 34.43 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 123.896 1.808 . . . . 0.0 113.898 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 78.2 p -74.96 165.05 25.88 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 122.537 1.161 . . . . 0.0 111.272 170.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -57.06 -22.52 39.85 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 125.319 1.447 . . . . 0.0 113.719 171.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 77.0 mtt-85 -74.2 -39.01 63.44 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 127.352 2.261 . . . . 0.0 111.316 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -75.42 -29.64 59.81 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 0.0 109.578 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -74.94 -37.54 61.97 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.341 -1.474 . . . . 0.0 113.116 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -46.07 -66.76 0.36 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.94 2.096 . . . . 0.0 112.363 167.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . 0.455 ' HA ' ' HB2' ' B' ' 561' ' ' MET . 97.8 t -54.06 -30.02 19.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.903 2.081 . . . . 0.0 114.725 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 21.8 mt -66.83 -39.55 87.69 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.194 -1.566 . . . . 0.0 113.149 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -70.94 -60.36 2.28 Favored 'General case' 0 C--N 1.344 0.339 0 O-C-N 119.803 -1.811 . . . . 0.0 110.588 164.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' B' ' 558' ' ' VAL . 0.2 OUTLIER -39.14 -52.24 1.9 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 119.543 3.164 . . . . 0.0 119.543 178.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 79.5 mmt-85 -108.03 -41.33 4.97 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 124.625 1.17 . . . . 0.0 112.265 -172.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -95.49 -13.01 24.9 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.361 -0.837 . . . . 0.0 111.227 -169.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 67.52 29.32 73.93 Favored Glycine 0 C--N 1.351 1.399 0 O-C-N 120.164 -1.585 . . . . 0.0 115.162 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.19 125.12 67.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 C-N-CA 124.506 1.123 . . . . 0.0 108.386 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -101.23 100.22 10.72 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.684 -1.26 . . . . 0.0 110.533 -177.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.6 mtm -96.66 -4.73 40.41 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.902 -1.124 . . . . 0.0 112.273 177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.96 54.75 0.0 OUTLIER 'General case' 0 C--N 1.353 0.751 0 N-CA-C 119.67 3.211 . . . . 0.0 119.67 167.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . 0.457 HG22 ' H ' ' B' ' 570' ' ' ASP . 0.8 OUTLIER -128.04 -175.59 3.54 Favored 'General case' 0 CA--C 1.513 -0.443 0 O-C-N 118.562 -2.586 . . . . 0.0 108.867 -176.243 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . 0.457 ' H ' HG22 ' B' ' 569' ' ' THR . 28.4 t70 -74.24 114.79 13.01 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 159.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.89 97.56 5.41 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 122.582 1.182 . . . . 0.0 109.473 -168.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.12 161.8 30.37 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 125.311 1.444 . . . . 0.0 111.253 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.3 tt -76.37 -27.47 56.42 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.162 -2.211 . . . . 0.0 111.786 -164.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.55 -45.22 95.09 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.347 1.859 . . . . 0.0 111.928 165.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -67.21 -30.59 70.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 127.583 2.353 . . . . 0.0 114.516 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' B' ' 549' ' ' ALA . 75.5 t -51.42 -40.57 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 O-C-N 120.563 -1.336 . . . . 0.0 114.302 164.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -68.06 -38.16 88.11 Favored Glycine 0 C--N 1.356 1.664 0 O-C-N 119.431 -2.043 . . . . 0.0 113.703 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -65.1 -44.5 88.6 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 130.164 3.386 . . . . 0.0 111.529 170.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -24.32 65.25 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 118.994 -2.316 . . . . 0.0 113.636 175.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -54.68 11.08 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.714 -1.241 . . . . 0.0 111.632 174.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -42.95 -56.7 3.17 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.563 2.06 . . . . 0.0 116.563 164.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.51 -62.42 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 124.548 1.139 . . . . 0.0 111.565 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 22.5 m -41.8 -49.27 4.39 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 117.044 2.238 . . . . 0.0 117.044 166.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 -69.99 -43.36 71.59 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 120.633 1.561 . . . . 0.0 110.583 -175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -54.79 -47.78 73.55 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 124.866 1.266 . . . . 0.0 111.901 171.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.24 -31.11 71.63 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.785 -1.197 . . . . 0.0 111.603 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.26 -42.27 95.82 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.32 -2.113 . . . . 0.0 112.452 170.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -73.7 -20.07 60.64 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-N 123.598 2.908 . . . . 0.0 108.673 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -66.73 -37.14 84.07 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 119.683 -1.886 . . . . 0.0 113.914 162.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.06 -44.61 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.401 1.48 . . . . 0.0 114.612 167.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -47.48 -54.18 12.2 Favored 'General case' 0 C--N 1.364 1.227 0 C-N-CA 126.345 1.858 . . . . 0.0 110.248 176.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.07 -43.93 20.56 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 127.622 2.369 . . . . 0.0 114.464 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -81.7 -26.66 34.46 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.78 -1.2 . . . . 0.0 111.309 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -78.73 -34.05 46.18 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 120.777 -1.202 . . . . 0.0 111.199 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 51.8 mt -73.27 5.46 3.56 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 120.291 -1.506 . . . . 0.0 113.556 168.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -107.31 -20.95 13.11 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 126.554 1.942 . . . . 0.0 110.392 169.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -70.56 -26.0 63.35 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 118.663 -2.523 . . . . 0.0 113.461 158.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 40.3 mt -85.43 159.7 19.9 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.412 1.577 . . . . 0.0 112.71 164.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -154.88 -47.35 0.09 Allowed 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 126.69 1.996 . . . . 0.0 107.463 -162.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -72.47 124.4 90.74 Favored Pre-proline 0 C--N 1.352 0.705 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 157.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -67.77 156.89 64.19 Favored 'Trans proline' 0 CA--C 1.512 -0.585 0 CA-C-N 123.842 2.408 . . . . 0.0 115.553 -163.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 17.2 t -83.57 -61.98 1.7 Allowed 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 163.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -111.56 134.19 53.31 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 122.006 0.908 . . . . 0.0 110.488 -174.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 73.2 m -79.71 -49.1 12.57 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.31 1.044 . . . . 0.0 110.156 177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.52 66.89 9.15 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 122.956 1.36 . . . . 0.0 111.795 -169.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.5 118.66 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 125.019 1.328 . . . . 0.0 108.504 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.63 -175.51 3.29 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 124.164 0.985 . . . . 0.0 108.672 -176.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -117.11 -121.82 0.3 Allowed 'General case' 0 C--N 1.345 0.376 0 O-C-N 120.145 -1.597 . . . . 0.0 110.905 -167.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 14.6 m -103.39 -13.25 16.73 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 125.848 1.659 . . . . 0.0 112.976 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -92.91 -31.71 14.85 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -111.62 90.08 3.24 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 119.921 -1.737 . . . . 0.0 107.726 -170.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 41.2 t0 53.06 122.38 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.853 2.061 . . . . 0.0 116.191 -162.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 CA--C 1.558 1.281 0 C-N-CA 128.744 2.818 . . . . 0.0 114.664 -162.007 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 . . . . . 0 CA--C 1.507 -0.695 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -132.46 178.19 7.02 Favored 'General case' 0 C--N 1.345 0.372 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 163.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -78.68 -53.35 7.24 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.616 -1.302 . . . . 0.0 110.364 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.07 -25.09 35.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -168.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.5 -41.78 96.24 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 118.892 -2.38 . . . . 0.0 114.267 172.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.7 m -60.59 -40.6 92.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 119.624 -1.923 . . . . 0.0 110.75 171.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -57.08 -54.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 125.404 1.482 . . . . 0.0 111.887 172.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -48.77 -49.12 40.09 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 126.332 1.853 . . . . 0.0 113.605 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.62 -56.18 25.54 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.965 0.906 . . . . 0.0 112.505 174.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.0 mt -45.66 -52.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 125.96 1.704 . . . . 0.0 114.726 170.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.271 27.6 pt -68.61 -42.66 83.52 Favored 'Isoleucine or valine' 0 C--N 1.346 0.437 0 O-C-N 120.868 -1.145 . . . . 0.0 111.81 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.3 m -60.74 -46.29 91.0 Favored 'General case' 0 C--N 1.35 0.596 0 C-N-CA 125.046 1.338 . . . . 0.0 112.499 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.18 -30.27 12.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 O-C-N 119.826 -1.796 . . . . 0.0 111.818 -177.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.68 -22.06 54.5 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 120.017 -1.677 . . . . 0.0 114.519 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -70.9 -47.27 60.05 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 119.877 -1.764 . . . . 0.0 108.949 -177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 mt -32.3 -52.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 129.413 3.085 . . . . 0.0 116.734 156.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.1 mt -48.61 -54.8 13.2 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 120.239 1.382 . . . . 0.0 111.856 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 47.9 mm -64.59 -38.67 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 127.881 2.472 . . . . 0.0 111.281 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -59.7 3.23 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 123.848 1.785 . . . . 0.0 110.465 -176.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -81.31 -59.13 2.75 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 127.624 2.37 . . . . 0.0 112.67 -163.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.7 m -107.41 -2.36 20.61 Favored 'General case' 0 CA--C 1.509 -0.612 0 O-C-N 121.036 -1.04 . . . . 0.0 111.332 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.309 32.4 mtm180 63.4 -127.8 0.52 Allowed 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.685 1.594 . . . . 0.0 114.614 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -93.95 -6.18 46.06 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.199 -1.563 . . . . 0.0 112.961 -167.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.67 -48.2 80.33 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -172.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.1 pt -83.12 -40.17 16.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 124.407 1.083 . . . . 0.0 111.198 -172.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -44.94 -42.59 2.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 128.85 2.86 . . . . 0.0 114.443 163.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -56.96 -36.24 70.06 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.048 1.739 . . . . 0.0 114.369 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -86.32 89.44 7.86 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -172.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -71.42 -21.23 62.01 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 119.445 -2.034 . . . . 0.0 115.607 -157.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.95 -54.72 22.73 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.043 0.937 . . . . 0.0 113.089 164.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.04 -41.2 62.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 126.921 2.088 . . . . 0.0 112.383 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.56 -52.13 64.77 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.57 1.148 . . . . 0.0 112.377 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 25.7 mt -69.43 -44.6 79.93 Favored 'Isoleucine or valine' 0 C--N 1.364 1.218 0 CA-C-O 122.215 1.007 . . . . 0.0 108.584 -171.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB1' ' HB1' ' B' ' 594' ' ' ALA . . . -52.24 -22.86 4.81 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 128.289 2.635 . . . . 0.0 116.961 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -41.17 67.82 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 123.982 0.913 . . . . 0.0 110.318 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.17 -44.37 92.27 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 122.144 0.973 . . . . 0.0 109.91 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.15 -52.55 64.84 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 125.046 1.339 . . . . 0.0 113.114 175.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -39.33 -55.7 1.68 Allowed 'General case' 0 C--N 1.35 0.621 0 C-N-CA 127.617 2.367 . . . . 0.0 116.151 169.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 pt -87.39 -21.58 7.15 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 O-C-N 120.91 -1.119 . . . . 0.0 112.214 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.71 37.0 4.35 Favored Glycine 0 C--N 1.343 0.936 0 O-C-N 120.105 -1.622 . . . . 0.0 114.475 168.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.67 106.76 17.41 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.399 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -124.96 -178.91 4.33 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 121.085 -1.009 . . . . 0.0 109.483 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -142.95 129.46 20.14 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 174.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 48.3 29.26 1.86 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.27 -8.36 77.52 Favored Glycine 0 C--N 1.346 1.114 0 C-N-CA 126.044 1.783 . . . . 0.0 113.702 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -99.65 137.65 37.83 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.545 -1.562 . . . . 0.0 110.514 -172.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -84.08 124.83 31.52 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 121.065 -1.022 . . . . 0.0 109.233 176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 99.34 11.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 -158.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -63.26 179.69 0.4 Allowed 'General case' 0 C--N 1.348 0.522 0 C-N-CA 125.757 1.623 . . . . 0.0 113.485 162.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -63.05 -39.54 95.05 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.808 -1.182 . . . . 0.0 113.001 -170.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -52.2 -59.93 3.81 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.944 1.698 . . . . 0.0 114.442 164.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 m -66.76 -34.79 78.62 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.595 -1.316 . . . . 0.0 113.021 -174.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.21 -51.97 66.75 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 125.629 1.572 . . . . 0.0 110.696 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -69.62 -26.28 64.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 120.55 -1.344 . . . . 0.0 112.923 178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.67 -45.23 89.84 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 119.949 -1.72 . . . . 0.0 112.337 166.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -33.85 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 O-C-N 120.838 -1.164 . . . . 0.0 113.035 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.0 t -64.99 -41.84 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.033 2.133 . . . . 0.0 112.946 166.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p -59.21 -51.1 71.43 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 119.268 -2.145 . . . . 0.0 115.275 173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.1 -29.51 60.72 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 128.304 2.641 . . . . 0.0 118.046 -172.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.18 147.87 31.12 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 120.826 -1.171 . . . . 0.0 113.285 -173.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.8 p -76.36 179.47 5.8 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 123.23 1.49 . . . . 0.0 113.212 -172.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -68.39 -40.08 81.49 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 120.603 -1.311 . . . . 0.0 111.977 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -59.28 -62.81 1.61 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.391 1.476 . . . . 0.0 113.22 174.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.309 88.2 m-20 -33.68 -63.37 0.26 Allowed 'General case' 0 C--N 1.349 0.552 0 C-N-CA 128.503 2.721 . . . . 0.0 116.377 168.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -43.91 -60.51 1.8 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 129.87 3.268 . . . . 0.0 115.505 169.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -75.53 -29.77 59.55 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 121.239 -0.913 . . . . 0.0 110.685 -172.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.7 m -56.23 -45.4 79.98 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 126.528 1.931 . . . . 0.0 113.376 166.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.7 -48.92 67.75 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.388 -1.445 . . . . 0.0 113.437 172.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.3 mt -52.6 -47.51 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 112.195 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -72.7 -16.57 61.68 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 119.898 -1.751 . . . . 0.0 114.253 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.99 -65.27 0.9 Allowed 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.567 -1.333 . . . . 0.0 110.471 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -127.47 99.18 5.51 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 -177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.9 -58.02 4.01 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.421 1.105 . . . . 0.0 109.926 -168.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -70.31 -32.73 70.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.096 2.158 . . . . 0.0 112.282 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.95 -56.62 21.48 Favored Glycine 0 C--N 1.351 1.394 0 C-N-CA 125.078 1.323 . . . . 0.0 113.41 172.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -64.02 -39.13 93.41 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.853 -1.381 . . . . 0.0 111.413 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -52.9 -49.71 65.35 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 114.184 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.55 -41.54 96.11 Favored Glycine 0 C--N 1.355 1.611 0 O-C-N 120.344 -1.472 . . . . 0.0 113.553 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.83 -49.67 82.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.295 0 O-C-N 121.698 -0.883 . . . . 0.0 110.85 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -46.72 -66.73 0.36 Allowed 'General case' 0 C--N 1.346 0.436 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 163.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -71.68 -25.41 62.09 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -167.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -81.78 -38.93 24.85 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.564 -1.335 . . . . 0.0 110.76 171.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.35 -48.58 80.65 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 120.256 -1.528 . . . . 0.0 113.216 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -60.26 -38.79 84.58 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.719 -1.238 . . . . 0.0 114.185 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -78.47 -43.2 27.67 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.708 0.803 . . . . 0.0 112.407 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -81.01 -32.44 34.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.751 -1.218 . . . . 0.0 113.951 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 p -66.98 117.79 9.54 Favored 'General case' 0 C--N 1.359 0.997 0 O-C-N 119.856 -1.778 . . . . 0.0 113.188 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -42.42 97.26 0.01 OUTLIER 'General case' 0 C--N 1.358 0.97 0 C-N-CA 127.182 2.193 . . . . 0.0 116.68 -170.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.0 mttm . . . . . 0 N--CA 1.447 -0.611 0 C-N-CA 125.675 1.59 . . . . 0.0 114.772 -179.668 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 119.704 -0.189 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 85.7 t -61.49 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.398 -1.439 . . . . 0.0 112.277 172.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 47.1 mt -58.46 -46.63 86.19 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -86.49 -32.15 20.93 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 120.203 1.365 . . . . 0.0 112.001 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 121.55 -18.92 8.64 Favored Glycine 0 CA--C 1.494 -1.219 0 O-C-N 120.629 -1.294 . . . . 0.0 112.101 170.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . 0.271 0.8 OUTLIER -79.26 135.85 36.88 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 124.498 2.094 . . . . 0.0 116.3 -167.317 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 82.4 p -88.02 169.72 11.73 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.898 -167.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -68.22 -21.52 64.85 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.69 -1.257 . . . . 0.0 112.259 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 29.4 mtp85 -72.06 -50.22 30.19 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.479 -1.388 . . . . 0.0 109.556 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -58.12 -53.22 60.75 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 128.862 2.865 . . . . 0.0 113.315 175.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -69.43 -18.65 63.75 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 121.118 -0.989 . . . . 0.0 112.655 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -79.83 -44.21 20.97 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 120.158 -1.589 . . . . 0.0 109.546 170.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 9.1 t -55.34 -33.37 31.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 O-C-N 120.133 -1.604 . . . . 0.0 114.558 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.31 -53.69 52.97 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 126.256 1.822 . . . . 0.0 112.299 173.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -82.46 -12.51 57.8 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 96.3 mtp -73.86 -68.53 0.51 Allowed 'General case' 0 C--N 1.352 0.709 0 O-C-N 118.961 -2.337 . . . . 0.0 113.273 162.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -95.9 -42.93 8.06 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 126.105 1.762 . . . . 0.0 113.044 -160.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.67 -15.15 59.88 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 121.85 -0.531 . . . . 0.0 111.012 -175.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 81.64 24.37 56.22 Favored Glycine 0 CA--C 1.485 -1.806 0 O-C-N 121.152 -0.968 . . . . 0.0 114.443 170.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 22.0 mt -110.59 110.62 32.84 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.055 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -81.78 96.67 7.66 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 14.2 ptp -107.53 70.27 0.77 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 122.778 1.275 . . . . 0.0 110.493 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.86 41.4 3.37 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 120.273 -1.517 . . . . 0.0 111.336 -167.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 17.4 p -133.68 -178.64 5.1 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.761 -1.212 . . . . 0.0 110.69 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -59.62 71.42 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.981 2.512 . . . . 0.0 115.63 164.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -71.71 110.73 6.45 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 69.6 p -88.11 164.12 15.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.634 1.574 . . . . 0.0 110.774 166.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 37.4 tp -58.35 -26.25 62.92 Favored 'General case' 0 C--N 1.347 0.471 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.94 -41.05 87.65 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 119.175 -2.203 . . . . 0.0 113.265 171.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -71.16 -27.76 63.77 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 125.229 1.411 . . . . 0.0 111.805 173.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . 0.429 ' HA ' ' HG2' ' B' ' 579' ' ' GLN . 57.6 t -61.02 -39.43 82.2 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 O-C-N 119.289 -2.132 . . . . 0.0 112.332 168.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -66.43 -40.34 94.4 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 119.69 -1.881 . . . . 0.0 114.569 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -54.6 -44.46 73.09 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 126.586 1.954 . . . . 0.0 115.075 163.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' B' ' 576' ' ' VAL 0.256 3.5 pt20 -70.47 -33.85 71.73 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 122.682 2.492 . . . . 0.0 112.72 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -34.18 77.43 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 120.176 -1.577 . . . . 0.0 114.845 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.74 -74.21 0.07 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.196 1.398 . . . . 0.0 113.116 161.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 90.6 t -55.79 -60.34 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 128.143 2.577 . . . . 0.0 111.381 -168.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -36.17 64.48 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 171.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 52.3 ttp85 -75.36 -46.97 29.8 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 118.733 -2.479 . . . . 0.0 109.068 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -51.18 -26.32 6.72 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 126.936 2.094 . . . . 0.0 114.19 172.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -70.3 -23.85 62.92 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.757 -1.214 . . . . 0.0 111.925 175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 60.9 mt -76.27 -39.29 34.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 O-C-N 119.356 -2.09 . . . . 0.0 112.474 -177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.97 -48.1 0.39 Allowed 'General case' 0 C--N 1.344 0.365 0 N-CA-C 118.062 2.616 . . . . 0.0 118.062 147.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -80.35 -36.22 34.42 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.666 -1.271 . . . . 0.0 113.269 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.3 mt -55.76 -47.9 78.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 126.789 2.036 . . . . 0.0 113.728 167.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -36.19 74.53 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 121.812 0.815 . . . . 0.0 111.743 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.1 95.24 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.574 1.549 . . . . 0.0 112.267 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -67.03 -53.47 30.89 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.652 1.215 . . . . 0.0 110.62 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . 0.494 ' HB1' ' HB1' ' A' ' 35' ' ' ALA . . . -59.61 -31.62 69.65 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.27 -0.84 51.4 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 173.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 51.8 mtt180 -83.7 -37.01 23.28 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.014 -1.679 . . . . 0.0 108.872 160.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -76.58 -28.93 56.38 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.114 -2.241 . . . . 0.0 115.819 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 9.8 tt -91.52 100.85 13.53 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.003 -1.686 . . . . 0.0 110.445 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -84.12 -3.35 58.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -170.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -85.39 128.85 57.72 Favored Pre-proline 0 C--N 1.349 0.574 0 O-C-N 119.388 -2.07 . . . . 0.0 112.5 176.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -67.93 118.66 5.77 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 121.805 1.67 . . . . 0.0 114.853 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 t -69.24 143.32 53.97 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 123.689 0.795 . . . . 0.0 111.809 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -85.96 151.82 23.43 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.462 -0.774 . . . . 0.0 110.436 -176.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 50.3 m -78.65 -15.46 58.47 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.145 -1.597 . . . . 0.0 113.959 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -74.87 112.63 11.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.516 -1.365 . . . . 0.0 112.964 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 5.5 p -93.71 128.64 44.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-O 122.251 1.024 . . . . 0.0 109.093 171.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 77.8 mt -102.79 141.74 35.1 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 125.188 1.395 . . . . 0.0 108.884 176.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -166.42 -87.22 0.02 OUTLIER 'General case' 0 C--N 1.353 0.734 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 13.3 t -132.16 -114.44 0.23 Allowed 'General case' 0 C--N 1.358 0.975 0 O-C-N 119.72 -1.862 . . . . 0.0 111.677 163.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -85.59 42.34 0.95 Allowed 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.044 -1.66 . . . . 0.0 114.014 -159.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.91 18.71 17.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 118.392 -2.693 . . . . 0.0 110.548 -171.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 25.6 p-10 -57.55 -35.34 70.2 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -172.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 45.2 t0 . . . . . 0 CA--C 1.553 1.08 0 C-N-CA 124.646 1.178 . . . . 0.0 110.377 176.562 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.442 -0.862 0 CA-C-O 122.605 1.193 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' HE1' ' A' ' 44' ' ' HIS . 8.1 tptm -88.1 141.25 28.72 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.02 -171.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -100.91 -58.53 1.87 Allowed 'General case' 0 C--N 1.348 0.524 0 C-N-CA 124.626 1.17 . . . . 0.0 109.726 171.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.2 tp -61.81 -31.82 52.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 C-N-CA 124.927 1.291 . . . . 0.0 114.372 -165.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -51.22 -46.12 62.15 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.605 1.962 . . . . 0.0 114.128 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -70.55 -40.37 73.44 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 111.47 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 t -62.24 -48.06 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.407 -0.808 . . . . 0.0 111.783 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -52.53 -36.69 56.02 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.535 1.534 . . . . 0.0 114.116 167.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' CD ' HH21 ' B' ' 562' ' ' ARG . 7.0 tp10 -64.26 -60.49 3.13 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.058 0.943 . . . . 0.0 111.235 173.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.3 mt -47.94 -49.17 11.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 C-N-CA 127.421 2.289 . . . . 0.0 113.243 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 tp -64.35 -46.43 93.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 O-C-N 120.93 -1.106 . . . . 0.0 112.689 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.1 m -63.98 -47.16 81.49 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.307 -1.496 . . . . 0.0 112.97 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.97 -27.95 25.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 O-C-N 120.775 -1.203 . . . . 0.0 112.372 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.67 58.95 Favored 'General case' 0 N--CA 1.438 -1.058 0 O-C-N 119.141 -2.225 . . . . 0.0 113.157 169.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 t -69.61 -48.89 58.48 Favored 'General case' 0 C--N 1.367 1.327 0 CA-C-O 123.211 1.481 . . . . 0.0 107.093 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.4 mt -35.42 -59.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 128.536 2.734 . . . . 0.0 115.093 161.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.1 mt -49.51 -47.58 48.65 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 123.02 1.39 . . . . 0.0 112.453 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 mm -63.43 -62.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.591 0 C-N-CA 126.751 2.02 . . . . 0.0 111.931 176.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -70.78 -23.68 62.44 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 119.727 -1.858 . . . . 0.0 111.835 -162.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -84.35 -64.49 1.15 Allowed 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.432 1.093 . . . . 0.0 111.445 172.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m -113.83 -5.69 13.25 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -162.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.284 1.4 tpp85 55.74 -127.61 2.09 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 169.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -91.02 -12.03 37.06 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 119.947 -1.721 . . . . 0.0 111.375 -165.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -64.68 -48.55 74.34 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.26 1.024 . . . . 0.0 111.868 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.9 pt -85.2 -45.79 17.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 O-C-N 121.388 -0.82 . . . . 0.0 112.58 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.39 -32.95 46.49 Favored 'Isoleucine or valine' 0 C--N 1.365 1.24 0 CA-C-O 123.451 1.596 . . . . 0.0 112.803 -160.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -43.69 -45.53 7.04 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 130.517 3.527 . . . . 0.0 114.391 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -67.77 119.54 12.65 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.528 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.9 mmt-85 -61.99 -49.34 76.48 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 114.441 1.275 . . . . 0.0 114.441 -171.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.37 -34.0 55.14 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 121.018 -1.051 . . . . 0.0 113.763 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -62.07 -36.12 80.71 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -61.6 -63.79 1.16 Allowed 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.177 -1.577 . . . . 0.0 113.541 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mt -22.6 -63.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 128.616 2.767 . . . . 0.0 114.775 145.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.15 81.23 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 118.865 -2.397 . . . . 0.0 116.22 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.23 -42.81 93.02 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 125.179 1.392 . . . . 0.0 110.62 175.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.69 -38.1 77.51 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.929 -1.107 . . . . 0.0 112.387 173.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -68.66 -47.14 67.29 Favored 'General case' 0 C--N 1.354 0.781 0 O-C-N 120.452 -1.405 . . . . 0.0 111.672 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -49.03 -56.25 9.54 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.43 -9.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.187 -1.571 . . . . 0.0 110.267 175.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.57 62.34 1.79 Allowed Glycine 0 CA--C 1.486 -1.748 0 O-C-N 121.383 -0.823 . . . . 0.0 114.167 158.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.0 t -89.43 129.53 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 CA-C-O 124.678 2.18 . . . . 0.0 109.161 170.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.7 p -110.33 138.47 46.68 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 128.233 2.613 . . . . 0.0 109.34 -165.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.464 ' HE1' ' O ' ' A' ' 3' ' ' LYS . 34.7 t60 -159.22 160.45 35.38 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 164.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 58.1 21.3 7.78 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 124.231 1.967 . . . . 0.0 113.608 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.56 3.05 90.12 Favored Glycine 0 C--N 1.357 1.739 0 C-N-CA 126.571 2.034 . . . . 0.0 112.622 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -117.0 162.19 18.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 126.01 1.724 . . . . 0.0 109.289 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.642 ' H ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -79.29 132.32 36.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 153.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.393 4.0 pp -71.87 103.37 3.14 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 116.432 2.012 . . . . 0.0 116.432 -161.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -85.15 -168.48 2.24 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 119.886 -1.759 . . . . 0.0 112.644 175.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.88 -42.34 93.53 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -163.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.28 -50.49 46.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-O 122.496 1.141 . . . . 0.0 112.135 171.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 m -63.85 -34.57 78.22 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 126.312 1.845 . . . . 0.0 113.134 -171.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.347 0.489 0 C-N-CA 127.371 2.268 . . . . 0.0 112.092 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -28.76 66.21 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 120.403 -1.435 . . . . 0.0 112.023 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -53.46 -54.64 34.13 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 126.576 1.951 . . . . 0.0 112.887 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -32.36 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 119.993 -1.692 . . . . 0.0 112.956 -170.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.58 -23.98 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 125.763 1.625 . . . . 0.0 112.826 170.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 m -67.79 -43.01 80.73 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 119.469 -2.019 . . . . 0.0 114.131 161.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.21 -20.6 62.98 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 120.349 3.462 . . . . 0.0 120.349 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -77.32 144.95 37.68 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 119.448 -2.032 . . . . 0.0 112.04 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.6 p -74.47 174.15 9.34 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.278 -1.514 . . . . 0.0 113.901 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -66.91 -37.82 85.07 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 120.069 -1.645 . . . . 0.0 113.175 170.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -61.83 -51.11 69.58 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 119.761 -1.837 . . . . 0.0 113.787 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 3.2 m-20 -48.96 -55.0 13.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 125.671 2.653 . . . . 0.0 113.586 177.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -56.18 -51.56 67.59 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.722 2.809 . . . . 0.0 113.82 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -71.39 -35.28 71.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 -174.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 m -52.0 -39.16 59.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.958 1.303 . . . . 0.0 114.053 165.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 mt -68.58 -47.84 65.73 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 119.348 -2.095 . . . . 0.0 113.15 169.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -50.18 -46.28 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.924 1.69 . . . . 0.0 112.365 171.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -62.85 1.44 Allowed 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.09 1.756 . . . . 0.0 113.82 165.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -63.98 -51.61 63.49 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -171.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -131.84 68.3 1.5 Allowed 'General case' 0 CA--C 1.509 -0.631 0 O-C-N 120.791 -1.193 . . . . 0.0 109.436 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -53.48 -49.48 67.39 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.351 1.46 . . . . 0.0 113.956 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -65.06 -42.15 94.45 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -175.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.18 -27.63 55.31 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 119.66 -1.9 . . . . 0.0 112.242 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -66.8 -56.81 8.76 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 121.428 -1.042 . . . . 0.0 110.479 173.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -49.06 -44.53 41.84 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 127.149 2.18 . . . . 0.0 113.327 173.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.97 3.36 Favored Glycine 0 C--N 1.352 1.451 0 C-N-CA 125.042 1.306 . . . . 0.0 113.749 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.62 -33.95 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 119.843 -1.974 . . . . 0.0 112.897 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -32.27 -57.15 0.33 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.493 2.317 . . . . 0.0 116.569 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -57.8 -62.6 1.69 Allowed 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.554 1.942 . . . . 0.0 112.599 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -55.4 -38.9 69.51 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.267 1.427 . . . . 0.0 113.54 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.91 -61.4 2.33 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.883 1.273 . . . . 0.0 113.101 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.0 -29.61 66.73 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.029 -1.67 . . . . 0.0 114.065 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 69.6 mtm -66.09 -51.43 58.08 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.668 -1.27 . . . . 0.0 112.692 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -85.3 -31.47 23.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.034 -1.041 . . . . 0.0 113.737 -171.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.5 p -65.5 118.87 10.08 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.067 -1.646 . . . . 0.0 113.74 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -41.29 130.57 2.88 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 129.329 3.052 . . . . 0.0 116.861 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.1 pttm . . . . . 0 C--N 1.347 0.473 0 O-C-N 119.883 -1.76 . . . . 0.0 114.094 -177.365 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.336 2.7 p30 . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 18.8 t -66.15 -39.97 85.8 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 O-C-N 119.939 -1.726 . . . . 0.0 112.722 167.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.29 -55.45 28.12 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.68 1.127 . . . . 0.0 113.655 174.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -38.48 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.353 0.744 0 N-CA-C 119.277 3.065 . . . . 0.0 119.277 160.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 109.21 -27.29 12.9 Favored Glycine 0 C--N 1.35 1.317 0 O-C-N 120.742 -1.224 . . . . 0.0 112.143 -165.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.3 pp -88.09 124.13 33.46 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 121.45 -1.03 . . . . 0.0 110.439 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . 0.526 HG22 ' H ' ' B' ' 553' ' ' ALA . 0.2 OUTLIER -75.55 -171.06 1.4 Allowed 'General case' 0 CA--C 1.536 0.433 0 O-C-N 120.376 -1.453 . . . . 0.0 113.652 -172.196 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . 0.526 ' H ' HG22 ' B' ' 552' ' ' THR . . . -52.29 -57.24 10.33 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -76.03 -28.73 57.82 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.208 -1.557 . . . . 0.0 111.564 -165.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.33 -47.98 62.54 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 127.254 2.221 . . . . 0.0 112.342 169.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -67.44 -24.08 65.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 121.179 -0.951 . . . . 0.0 112.688 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 27.3 tptt -79.33 -44.9 20.69 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.719 -1.238 . . . . 0.0 109.281 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . 0.415 ' HA ' ' HB2' ' B' ' 561' ' ' MET . 4.9 p -73.72 -17.41 17.37 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.103 -1.623 . . . . 0.0 114.776 -179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 25.7 mt -68.32 -28.6 67.3 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.287 1.435 . . . . 0.0 112.541 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.22 -73.85 0.12 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.834 1.254 . . . . 0.0 109.919 152.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . 0.415 ' HB2' ' HA ' ' B' ' 558' ' ' VAL . 79.0 mtp -37.73 -46.92 0.94 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 119.908 3.299 . . . . 0.0 119.908 -169.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . 0.402 HH21 ' CD ' ' A' ' 10' ' ' GLU . 25.7 mmt180 -112.34 -38.13 4.78 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.761 1.225 . . . . 0.0 112.658 -172.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -93.74 -18.91 21.58 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 123.742 0.817 . . . . 0.0 110.445 -169.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 69.36 37.14 79.55 Favored Glycine 0 C--N 1.348 1.203 0 C-N-CA 124.494 1.045 . . . . 0.0 115.196 174.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.24 132.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-O 121.876 0.846 . . . . 0.0 109.551 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -92.4 95.3 9.58 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 120.946 -1.096 . . . . 0.0 108.762 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.77 61.17 0.8 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 123.779 1.752 . . . . 0.0 111.647 168.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -122.42 -16.08 7.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.158 1.783 . . . . 0.0 113.419 -167.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 19.9 p -75.58 -103.88 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -172.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.03 136.27 50.07 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 128.485 2.714 . . . . 0.0 109.129 -168.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -126.2 152.62 45.79 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.836 1.303 . . . . 0.0 111.949 -176.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 17.5 p -123.69 167.15 14.36 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 162.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.2 -19.51 46.85 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.203 -1.561 . . . . 0.0 109.685 -175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -54.83 -54.77 38.01 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 125.2 1.4 . . . . 0.0 112.66 159.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -75.41 -20.07 59.13 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.08 -42.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.278 -1.514 . . . . 0.0 110.535 161.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -65.55 -51.31 49.03 Favored Glycine 0 C--N 1.35 1.355 0 C-N-CA 124.235 0.922 . . . . 0.0 114.259 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -71.24 -28.78 64.42 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 119.093 1.446 . . . . 0.0 110.956 -171.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.59 -18.64 63.64 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.755 -1.84 . . . . 0.0 113.27 170.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.4 -61.74 1.76 Allowed 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.204 -1.56 . . . . 0.0 112.035 173.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -22.18 -69.54 0.03 OUTLIER 'General case' 0 C--N 1.348 0.531 0 N-CA-C 118.331 2.715 . . . . 0.0 118.331 151.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.51 -63.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 124.126 0.97 . . . . 0.0 112.584 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 2.4 m -55.62 -34.73 65.16 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 118.424 2.75 . . . . 0.0 118.424 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -71.17 -49.97 38.26 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 119.026 -2.296 . . . . 0.0 111.997 176.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -45.79 -48.16 15.59 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 125.662 1.585 . . . . 0.0 112.874 167.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 172.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.54 -36.64 77.1 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 O-C-N 120.109 -1.619 . . . . 0.0 111.538 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -74.39 -19.29 60.48 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 119.559 -1.963 . . . . 0.0 110.696 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.67 -22.06 34.74 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 125.759 1.623 . . . . 0.0 113.653 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 86.0 mt -69.36 -39.99 79.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 O-C-N 120.074 -1.641 . . . . 0.0 112.732 166.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.31 -57.08 6.5 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.148 2.579 . . . . 0.0 112.92 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.49 -49.59 3.96 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 130.384 3.474 . . . . 0.0 115.55 167.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -71.06 -45.75 63.23 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.239 1.415 . . . . 0.0 110.321 -176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.16 -31.94 67.72 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.521 1.128 . . . . 0.0 113.816 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 83.1 mt -71.78 2.4 5.46 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.181 -1.574 . . . . 0.0 114.906 168.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -97.17 -39.99 9.01 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.057 -2.277 . . . . 0.0 108.848 166.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -65.18 -48.94 71.68 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.145 -1.597 . . . . 0.0 114.403 171.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.7 tp -92.74 103.19 15.58 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 120.984 -1.072 . . . . 0.0 111.847 -173.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -90.7 -6.05 54.98 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -68.81 145.23 96.7 Favored Pre-proline 0 C--N 1.348 0.516 0 O-C-N 120.341 -1.475 . . . . 0.0 111.449 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.74 99.18 1.27 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.373 2.049 . . . . 0.0 113.385 -172.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 6.7 m -70.67 -68.99 0.39 Allowed 'General case' 0 C--N 1.35 0.613 0 C-N-CA 124.828 1.251 . . . . 0.0 113.454 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 -83.88 134.95 34.67 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 120.467 -1.396 . . . . 0.0 110.821 -177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 24.8 p -77.4 -29.75 53.24 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 125.52 1.528 . . . . 0.0 113.932 -172.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -100.94 146.2 27.68 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 123.556 1.646 . . . . 0.0 114.398 -172.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.98 119.9 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 128.244 2.618 . . . . 0.0 110.461 -170.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -125.16 128.48 48.45 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.383 -1.448 . . . . 0.0 111.606 -166.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 26.5 ttp-105 -100.61 -92.25 0.3 Allowed 'General case' 0 C--N 1.357 0.932 0 O-C-N 121.006 -1.059 . . . . 0.0 109.342 167.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 23.5 t -78.29 -161.65 0.29 Allowed 'General case' 0 C--N 1.349 0.564 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 154.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -84.99 88.58 7.46 Favored 'General case' 0 C--N 1.364 1.214 0 O-C-N 118.659 -2.526 . . . . 0.0 107.322 -168.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 56.9 mt -106.58 55.76 0.66 Allowed 'General case' 0 C--N 1.347 0.481 0 C-N-CA 125.013 1.325 . . . . 0.0 108.493 -175.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -140.33 -168.09 2.47 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.554 1.104 0 C-N-CA 128.625 2.77 . . . . 0.0 114.324 171.118 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.6 m120 . . . . . 0 N--CA 1.435 -1.196 0 CA-C-O 121.866 0.841 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -111.11 167.81 9.98 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.767 -1.208 . . . . 0.0 107.947 165.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -65.27 -13.78 59.18 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.733 -1.854 . . . . 0.0 114.092 167.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.46 -27.73 43.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 C-N-CA 125.109 1.363 . . . . 0.0 111.492 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -55.98 -49.21 74.23 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.263 -1.523 . . . . 0.0 114.031 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 m -66.22 -41.72 89.68 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.089 1.356 . . . . 0.0 111.052 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.2 t -56.6 -55.47 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 124.566 1.146 . . . . 0.0 111.511 172.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -48.06 -46.23 33.29 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.93 1.692 . . . . 0.0 114.13 170.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -58.88 -59.94 4.65 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.382 1.473 . . . . 0.0 112.952 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -52.87 -47.61 52.0 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 126.402 1.881 . . . . 0.0 114.286 175.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mm -63.56 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.232 1.013 . . . . 0.0 111.134 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.5 m -55.44 -51.55 66.54 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.357 -1.464 . . . . 0.0 113.846 167.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.4 t -71.21 -30.78 41.84 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 119.846 -1.784 . . . . 0.0 111.262 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.23 -18.89 61.79 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 119.627 -1.921 . . . . 0.0 114.377 172.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.1 m -76.34 -57.62 3.76 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 123.215 1.483 . . . . 0.0 107.916 -169.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 27.2 mt -20.78 -59.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 C-N-CA 129.659 3.184 . . . . 0.0 117.094 152.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 mt -52.39 -41.65 63.34 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 122.39 1.09 . . . . 0.0 113.592 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.41 -61.97 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.682 0 C-N-CA 127.114 2.166 . . . . 0.0 109.823 177.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.35 -37.57 87.98 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.996 -1.69 . . . . 0.0 112.609 -164.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -90.35 -59.04 2.29 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 112.735 -171.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.6 p -109.34 -11.28 14.87 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -168.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 60.09 -170.89 0.14 Allowed 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 128.028 2.531 . . . . 0.0 117.255 171.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -38.34 -20.81 0.01 OUTLIER 'General case' 0 C--N 1.352 0.688 0 C-N-CA 130.396 3.478 . . . . 0.0 118.233 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.89 -51.77 66.8 Favored 'General case' 0 N--CA 1.449 -0.478 0 O-C-N 120.15 -1.594 . . . . 0.0 113.549 170.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mt -83.56 -50.18 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 O-C-N 119.95 -1.719 . . . . 0.0 111.55 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.1 t -35.54 -37.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.752 0 C-N-CA 129.333 3.053 . . . . 0.0 116.002 164.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -39.2 -46.21 1.46 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 127.418 2.287 . . . . 0.0 117.084 169.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -98.5 122.95 42.34 Favored 'General case' 0 C--N 1.367 1.348 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -165.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -58.09 -42.01 84.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.18 84.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -54.02 -33.55 57.53 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 175.022 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -67.01 -59.88 3.1 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.069 -1.644 . . . . 0.0 111.76 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.3 mt -30.84 -65.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.346 0.431 0 C-N-CA 128.459 2.703 . . . . 0.0 114.653 149.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 32' ' ' ASN . . . -55.48 -33.01 63.31 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -42.11 60.04 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.635 1.174 . . . . 0.0 112.664 -176.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.14 -35.99 81.95 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.142 -1.599 . . . . 0.0 111.743 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.38 -50.29 68.27 Favored 'General case' 0 C--N 1.363 1.175 0 O-C-N 121.074 -1.016 . . . . 0.0 111.879 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.04 -54.88 2.18 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 128.058 2.543 . . . . 0.0 114.146 173.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.0 pt -87.65 -19.07 8.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.66 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.07 55.72 2.06 Favored Glycine 0 C--N 1.339 0.711 0 O-C-N 119.598 -1.939 . . . . 0.0 112.898 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.9 t -93.55 122.01 44.68 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 N-CA-C 104.883 -2.266 . . . . 0.0 104.883 163.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -125.99 167.22 15.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.12 140.77 22.6 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 105.712 -1.959 . . . . 0.0 105.712 168.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.328 47.1 mt-10 75.43 8.87 3.79 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 122.997 2.635 . . . . 0.0 111.627 166.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.62 0.33 86.28 Favored Glycine 0 C--N 1.352 1.446 0 C-N-CA 126.313 1.911 . . . . 0.0 112.032 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.22 131.94 56.29 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 125.037 1.335 . . . . 0.0 110.7 -167.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -83.85 135.93 34.32 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 120.083 -1.635 . . . . 0.0 110.06 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.61 83.05 0.01 OUTLIER 'General case' 0 C--N 1.351 0.673 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -170.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -74.96 -177.19 3.22 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 119.921 -1.737 . . . . 0.0 112.607 161.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -65.9 -30.3 70.87 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -175.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -67.76 -53.67 25.39 Favored 'General case' 0 C--N 1.343 0.302 0 O-C-N 120.791 -1.193 . . . . 0.0 111.283 171.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -55.57 -39.87 71.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 C-N-CA 126.85 2.06 . . . . 0.0 112.53 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -61.45 2.57 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.161 1.385 . . . . 0.0 114.392 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -73.09 -25.41 60.87 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.321 -1.487 . . . . 0.0 111.916 -174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -50.63 -53.97 26.62 Favored 'General case' 0 C--N 1.351 0.633 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -70.52 -15.99 19.46 Favored 'Isoleucine or valine' 0 C--N 1.352 0.703 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.3 t -87.34 -44.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 111.382 173.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -65.91 -63.32 1.11 Allowed 'General case' 0 C--O 1.237 0.443 0 C-N-CA 127.831 2.452 . . . . 0.0 114.639 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.57 75.38 9.1 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.844 2.259 . . . . 0.0 108.786 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.6 tp -131.31 140.4 49.75 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 112.83 -1.986 . . . . 0.0 107.402 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 m -67.62 143.46 56.03 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 125.182 1.393 . . . . 0.0 111.016 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -62.63 -43.4 98.9 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.609 -1.307 . . . . 0.0 112.734 173.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -60.34 -53.79 53.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.307 1.443 . . . . 0.0 113.07 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.254 0.2 OUTLIER -81.28 -27.08 35.26 Favored 'General case' 0 C--N 1.364 1.226 0 O-C-N 121.065 -1.022 . . . . 0.0 113.607 -178.373 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -60.22 -34.61 73.9 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 122.256 2.298 . . . . 0.0 112.977 165.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -75.09 -26.4 59.27 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 121.002 -1.061 . . . . 0.0 110.667 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . 0.272 28.5 p -55.51 -44.62 76.78 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 120.379 -1.45 . . . . 0.0 114.026 164.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.35 -46.49 90.01 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 120.978 -1.076 . . . . 0.0 112.079 172.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.0 mt -53.66 -60.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 124.627 1.171 . . . . 0.0 112.905 173.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.01 -34.18 77.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.645 -1.91 . . . . 0.0 114.636 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -66.76 -56.5 10.21 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.703 -1.873 . . . . 0.0 112.403 172.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -115.59 70.55 0.75 Allowed 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 125.021 1.328 . . . . 0.0 110.509 -175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.59 -56.99 14.74 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.563 -1.335 . . . . 0.0 113.843 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.22 -26.7 59.14 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.68 4.25 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 120.274 -1.516 . . . . 0.0 113.592 -173.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.08 -56.17 8.54 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 119.879 -1.954 . . . . 0.0 110.396 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.78 -44.04 97.31 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 123.544 0.737 . . . . 0.0 111.747 -177.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.72 -50.3 67.47 Favored Glycine 0 C--N 1.348 1.238 0 C-N-CA 123.847 0.737 . . . . 0.0 114.274 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 77.8 t -79.47 -43.18 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 O-C-N 119.078 -2.425 . . . . 0.0 111.145 -170.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -36.79 85.51 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 120.301 -1.499 . . . . 0.0 112.404 -173.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.9 ttt85 -64.9 -49.1 71.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.777 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.16 -25.24 61.62 Favored 'General case' 0 C--N 1.345 0.379 0 O-C-N 120.338 -1.476 . . . . 0.0 112.139 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.78 -36.84 78.79 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.222 -1.549 . . . . 0.0 114.319 167.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.3 -38.74 80.98 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 120.124 1.329 . . . . 0.0 111.507 169.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 63.0 ttp -68.61 -49.21 61.05 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.449 1.1 . . . . 0.0 113.795 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -80.22 -47.27 14.9 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.376 -1.453 . . . . 0.0 114.444 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.7 p -78.4 80.95 4.77 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 119.987 -1.696 . . . . 0.0 110.904 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -77.3 155.74 31.83 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 119.945 -1.722 . . . . 0.0 110.958 -172.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.0 pttt . . . . . 0 CA--C 1.517 -0.322 0 O-C-N 120.519 -1.363 . . . . 0.0 111.073 173.048 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.928 0.87 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . 0.403 HG23 ' H ' ' B' ' 547' ' ' VAL . 44.2 t -49.01 -49.84 15.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 C-N-CA 128.162 2.585 . . . . 0.0 113.454 172.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 2.2 mp -49.75 -48.3 50.29 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 126.014 1.726 . . . . 0.0 115.321 172.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -77.82 -34.33 52.03 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 120.911 -1.118 . . . . 0.0 111.439 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 130.2 -15.15 5.6 Favored Glycine 0 CA--C 1.491 -1.427 0 O-C-N 121.195 -0.941 . . . . 0.0 113.913 168.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.6 pp -91.96 131.71 37.06 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 123.368 1.556 . . . . 0.0 113.458 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 1.3 m -75.91 164.79 25.84 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 119.635 -1.916 . . . . 0.0 112.811 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -38.57 -48.32 1.41 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 167.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -57.29 -45.65 83.92 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.532 2.11 . . . . 0.0 111.511 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.47 -45.7 68.4 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 130.849 3.659 . . . . 0.0 111.788 -177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.88 82.08 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.107 1.432 . . . . 0.0 111.874 172.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.96 -44.23 77.21 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.754 1.621 . . . . 0.0 113.951 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.85 -25.0 37.32 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 119.781 -1.825 . . . . 0.0 113.019 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 43.9 mt -62.37 -52.62 62.89 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 124.639 1.176 . . . . 0.0 111.218 175.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 41.4 ptt85 -72.41 -25.67 61.58 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 117.318 -1.325 . . . . 0.0 113.659 173.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 80.9 mtp -79.11 -54.85 5.58 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 123.66 2.936 . . . . 0.0 112.096 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -99.21 -56.48 2.41 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.217 1.407 . . . . 0.0 113.398 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.5 -26.61 66.43 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.633 -1.292 . . . . 0.0 112.96 -168.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 98.42 14.35 38.56 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 117.077 1.591 . . . . 0.0 117.077 170.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 75.6 mt -106.15 128.88 60.2 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.585 2.193 . . . . 0.0 109.324 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.53 82.49 1.82 Allowed 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 120.79 -1.194 . . . . 0.0 112.49 -176.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -99.31 70.92 1.77 Allowed 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.311 -1.493 . . . . 0.0 111.559 168.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.55 66.32 0.63 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 118.534 -2.604 . . . . 0.0 109.89 -173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 13.9 t -177.48 -179.69 0.86 Allowed 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 125.596 1.559 . . . . 0.0 107.547 -172.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -75.45 133.42 41.1 Favored 'General case' 0 N--CA 1.432 -1.327 0 C-N-CA 131.564 3.946 . . . . 0.0 111.8 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -128.86 156.81 43.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.865 0.84 . . . . 0.0 110.058 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 m -86.64 159.65 19.14 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.635 1.574 . . . . 0.0 109.022 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.67 -26.77 65.47 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.666 -1.897 . . . . 0.0 112.834 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -56.62 -55.94 27.68 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.43 1.892 . . . . 0.0 113.531 160.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.97 -43.88 94.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 127.161 2.184 . . . . 0.0 114.605 -178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 62.1 t -46.13 -50.23 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.753 1.221 . . . . 0.0 113.719 167.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -70.28 -36.51 70.57 Favored Glycine 0 C--N 1.354 1.548 0 O-C-N 120.803 -1.186 . . . . 0.0 113.912 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -79.01 -20.93 47.8 Favored 'General case' 0 C--N 1.344 0.354 0 O-C-N 121.161 -1.199 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -77.02 -14.02 59.88 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.874 -1.766 . . . . 0.0 112.151 172.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -73.95 -67.35 0.61 Allowed 'General case' 0 C--N 1.355 0.84 0 C-N-CA 126.053 1.741 . . . . 0.0 111.663 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -8.46 -64.17 0.0 OUTLIER 'General case' 0 C--N 1.354 0.786 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 139.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.75 -64.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.743 0 C-N-CA 124.672 1.189 . . . . 0.0 112.382 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 9.5 m -41.85 -45.71 3.75 Favored 'General case' 0 C--N 1.347 0.463 0 N-CA-C 117.952 2.575 . . . . 0.0 117.952 167.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -62.76 -45.12 94.18 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 119.224 -2.172 . . . . 0.0 112.143 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -50.01 -54.65 18.76 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.364 1.065 . . . . 0.0 111.874 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -56.5 -40.29 74.72 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.01 -39.04 80.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 119.952 -1.717 . . . . 0.0 110.718 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -74.86 -15.56 60.71 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 119.14 -2.225 . . . . 0.0 110.714 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -79.16 -34.67 42.96 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.409 -1.432 . . . . 0.0 112.402 166.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.77 -46.65 79.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.641 -1.912 . . . . 0.0 112.835 167.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -52.82 -51.12 62.09 Favored 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.252 2.221 . . . . 0.0 112.294 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.76 -47.43 20.76 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -79.35 -42.16 26.25 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 121.755 -0.59 . . . . 0.0 110.172 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.57 87.48 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.744 -1.222 . . . . 0.0 113.531 -177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.16 -5.56 45.02 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.957 1.703 . . . . 0.0 115.213 172.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -98.35 -34.81 10.53 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.976 1.71 . . . . 0.0 109.048 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.02 -36.97 67.08 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.247 -1.533 . . . . 0.0 114.198 171.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 5.0 tp -85.51 100.63 12.04 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.787 -1.196 . . . . 0.0 111.641 -174.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -100.16 0.67 41.0 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 121.064 -1.023 . . . . 0.0 113.072 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -84.96 108.72 16.34 Favored Pre-proline 0 C--N 1.351 0.664 0 O-C-N 120.119 -1.613 . . . . 0.0 110.623 172.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.28 162.19 31.38 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.182 1.922 . . . . 0.0 114.117 -158.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 45.2 t -153.84 -54.84 0.11 Allowed 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.868 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.84 125.74 31.66 Favored 'General case' 0 C--N 1.364 1.223 0 CA-C-O 121.951 0.881 . . . . 0.0 109.385 -171.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 66.8 m -95.47 -58.65 2.07 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 124.605 1.162 . . . . 0.0 108.872 176.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -100.43 160.17 14.55 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 -164.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 3.2 p -80.92 103.11 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 123.314 1.531 . . . . 0.0 112.233 -175.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 62.9 tp -147.34 109.15 4.4 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 119.599 -1.938 . . . . 0.0 108.221 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -166.98 -115.34 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 1.9 m -160.71 -63.58 0.06 Allowed 'General case' 0 CA--C 1.503 -0.856 0 O-C-N 120.123 -1.611 . . . . 0.0 110.071 172.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -88.81 79.04 7.5 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 121.147 -0.971 . . . . 0.0 109.622 -168.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 9.8 mt -107.48 61.11 0.62 Allowed 'General case' 0 CA--C 1.509 -0.633 0 O-C-N 119.413 -2.054 . . . . 0.0 110.335 -160.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -84.26 3.32 35.96 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.63 -1.294 . . . . 0.0 111.429 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 C--N 1.362 1.149 0 C-N-CA 130.451 3.5 . . . . 0.0 113.16 -175.375 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 . . . . . 0 N--CA 1.437 -1.078 0 CA-C-O 122.489 1.138 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -115.71 136.28 53.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 122.47 1.129 . . . . 0.0 111.825 -168.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -82.95 -31.72 27.51 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 120.913 -1.117 . . . . 0.0 109.087 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 mm -69.01 -26.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 O-C-N 121.606 -0.684 . . . . 0.0 111.839 -167.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -52.5 -55.61 20.87 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 126.373 1.869 . . . . 0.0 112.624 168.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.3 m -64.48 -43.19 94.93 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.758 1.623 . . . . 0.0 112.835 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -54.8 -53.14 35.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 C-N-CA 125.703 1.601 . . . . 0.0 110.388 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -47.27 -40.39 16.59 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 126.988 2.115 . . . . 0.0 115.276 171.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -66.35 -58.18 5.86 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 120.815 -1.178 . . . . 0.0 110.166 174.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.7 mt -46.41 -51.48 4.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 127.519 2.328 . . . . 0.0 113.13 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.7 mm -60.84 -54.89 29.02 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 C-N-CA 124.945 1.298 . . . . 0.0 111.623 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.5 m -52.52 -49.6 64.49 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.149 1.379 . . . . 0.0 113.503 177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 p -79.12 -17.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.554 0 CA-C-O 122.851 1.31 . . . . 0.0 114.1 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.08 -16.25 30.06 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 119.751 -1.843 . . . . 0.0 111.148 172.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 t -74.42 -51.89 13.63 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.2 mt -30.68 -56.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.189 0 C-N-CA 128.216 2.606 . . . . 0.0 114.831 162.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mt -57.62 -43.25 84.62 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.311 -1.493 . . . . 0.0 113.814 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.3 mm -61.46 -59.64 3.97 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 C-N-CA 126.39 1.876 . . . . 0.0 109.533 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.49 -35.02 78.02 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.371 1.558 . . . . 0.0 112.01 -163.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -97.64 -59.54 1.75 Allowed 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.712 1.605 . . . . 0.0 111.213 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -104.58 -6.53 20.44 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.753 -1.217 . . . . 0.0 113.354 -166.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 61.46 -140.7 0.49 Allowed 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -85.16 -8.42 58.61 Favored 'General case' 0 C--N 1.346 0.432 0 O-C-N 120.365 -1.46 . . . . 0.0 112.646 -161.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -49.62 -62.04 1.78 Allowed 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 129.017 2.927 . . . . 0.0 112.836 174.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -95.78 -27.72 4.05 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 120.15 -1.594 . . . . 0.0 112.084 -175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.6 t -54.96 -40.67 54.56 Favored 'Isoleucine or valine' 0 C--N 1.343 0.312 0 C-N-CA 127.446 2.299 . . . . 0.0 114.986 167.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.71 -36.23 71.73 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 123.921 1.819 . . . . 0.0 113.106 173.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -79.88 99.41 7.54 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.341 -1.754 . . . . 0.0 108.929 -163.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -58.73 -42.71 89.4 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -172.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.25 -39.54 32.83 Favored 'General case' 0 N--CA 1.446 -0.67 0 O-C-N 120.631 -1.293 . . . . 0.0 112.358 -175.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -54.8 -42.71 72.14 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.909 1.284 . . . . 0.0 113.097 174.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -58.21 -57.88 10.92 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.04 1.736 . . . . 0.0 114.632 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 34' ' ' ILE . 61.8 mt -38.25 -63.55 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 129.665 3.186 . . . . 0.0 113.024 153.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -34.18 60.32 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 118.554 -2.591 . . . . 0.0 115.664 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CZ ' HG23 ' B' ' 587' ' ' ILE . 0.5 OUTLIER -64.02 -39.89 95.11 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 126.798 2.039 . . . . 0.0 112.58 177.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.03 -38.95 86.82 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.861 1.315 . . . . 0.0 112.34 175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -74.23 -39.77 62.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 120.218 -1.551 . . . . 0.0 111.523 -176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -34.68 -58.57 0.5 Allowed 'General case' 0 C--N 1.358 0.936 0 C-N-CA 127.765 2.426 . . . . 0.0 116.914 171.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.442 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -88.7 -13.2 9.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 121.507 0.67 . . . . 0.0 110.368 -178.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.81 66.41 2.06 Favored Glycine 0 CA--C 1.494 -1.224 0 O-C-N 120.681 -1.262 . . . . 0.0 114.194 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -80.48 113.03 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 103.397 -2.816 . . . . 0.0 103.397 160.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.9 p -121.42 -173.8 2.71 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.323 1.874 . . . . 0.0 110.158 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -166.83 126.79 1.53 Allowed 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 102.834 -3.025 . . . . 0.0 102.834 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.47 55.2 mt-10 80.5 -12.2 1.06 Allowed 'General case' 0 C--N 1.364 1.206 0 CA-C-N 125.841 3.928 . . . . 0.0 114.235 -178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.63 12.7 68.83 Favored Glycine 0 C--N 1.349 1.251 0 C-N-CA 124.154 0.883 . . . . 0.0 111.008 -163.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -90.48 137.92 31.97 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 122.563 1.173 . . . . 0.0 111.742 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.38 143.77 38.44 Favored 'General case' 0 N--CA 1.44 -0.943 0 C-N-CA 124.731 1.213 . . . . 0.0 109.503 157.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -95.55 92.96 6.9 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.039 -1.663 . . . . 0.0 109.436 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -75.71 175.92 8.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.734 -1.229 . . . . 0.0 109.777 160.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -43.14 -44.01 4.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -55.11 -62.47 1.64 Allowed 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.33 1.852 . . . . 0.0 113.758 176.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 m -64.68 -35.72 81.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 O-C-N 121.019 -1.051 . . . . 0.0 112.692 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -60.96 -46.93 88.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 123.998 0.919 . . . . 0.0 112.688 175.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -73.71 -36.38 65.22 Favored 'General case' 0 C--N 1.357 0.925 0 O-C-N 120.335 -1.478 . . . . 0.0 110.505 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -58.59 -46.09 87.7 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.541 1.536 . . . . 0.0 114.843 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.7 tt -61.75 -46.34 96.74 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 O-C-N 120.774 -1.204 . . . . 0.0 113.743 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 32.0 t -60.74 -42.6 92.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 126.682 1.993 . . . . 0.0 113.624 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.3 t -57.85 -52.92 63.51 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 119.726 -1.859 . . . . 0.0 114.393 173.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -87.47 8.17 26.01 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 119.806 1.184 . . . . 0.0 113.456 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 66' ' ' LYS . 2.0 tt -57.74 129.45 41.95 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.078 -1.639 . . . . 0.0 113.211 171.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -68.73 142.57 54.95 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 126.231 1.812 . . . . 0.0 113.288 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -61.51 -53.94 49.75 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 124.628 1.171 . . . . 0.0 112.578 -168.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -58.21 -37.88 75.68 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -78.56 -39.3 38.13 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-O 116.599 -1.667 . . . . 0.0 111.495 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.544 ' HB3' HD22 ' A' ' 61' ' ' LEU 0.266 4.6 pttm -62.28 -35.46 79.08 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 123.009 2.64 . . . . 0.0 112.838 173.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -68.65 -45.01 72.9 Favored 'General case' 0 C--N 1.368 1.382 0 CA-C-O 122.236 1.017 . . . . 0.0 109.938 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.9 m -54.91 -38.12 67.23 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 126.828 2.051 . . . . 0.0 115.014 170.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.79 -42.04 97.82 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 119.701 -1.874 . . . . 0.0 111.375 172.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.34 -59.28 4.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.591 1.156 . . . . 0.0 112.379 167.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.62 -12.24 43.59 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 126.424 1.889 . . . . 0.0 114.71 -175.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.5 -61.54 2.42 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.937 -1.102 . . . . 0.0 111.91 162.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.325 0.0 OUTLIER 143.92 -19.29 0.0 OUTLIER 'General case' 0 C--N 1.361 1.069 0 C-N-CA 128.876 2.87 . . . . 0.0 114.624 172.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.49 127.58 28.29 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 117.71 2.485 . . . . 0.0 117.71 -163.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.87 -27.43 68.79 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.33 1.852 . . . . 0.0 113.301 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.92 -18.28 59.91 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 120.385 -1.447 . . . . 0.0 111.046 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -72.6 -60.4 2.25 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 121.366 -1.079 . . . . 0.0 108.964 173.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -59.38 -31.84 69.59 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 121.121 -0.987 . . . . 0.0 113.516 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.0 -61.26 5.87 Favored Glycine 0 C--N 1.351 1.41 0 C-N-CA 125.609 1.576 . . . . 0.0 114.349 167.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.0 t -71.68 -41.0 71.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 CA-C-N 120.699 2.25 . . . . 0.0 111.74 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.06 -65.37 0.3 Allowed 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.92 1.688 . . . . 0.0 114.25 166.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -63.71 -35.63 81.19 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -81.32 -30.76 33.77 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.413 -1.43 . . . . 0.0 112.146 -173.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.7 tp -56.17 -50.16 71.96 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 125.382 1.473 . . . . 0.0 112.695 171.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -56.64 -48.19 78.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.064 1.346 . . . . 0.0 112.516 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 46.6 ttp -69.91 -58.05 4.32 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 125.022 1.329 . . . . 0.0 113.209 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -77.1 -38.17 52.8 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.542 -1.349 . . . . 0.0 114.485 -173.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.7 p -90.53 125.06 35.49 Favored 'General case' 0 C--N 1.35 0.587 0 O-C-N 120.21 -1.556 . . . . 0.0 113.411 -168.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -104.9 164.69 11.6 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 167.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.8 pttm . . . . . 0 N--CA 1.452 -0.37 0 O-C-N 119.789 -1.819 . . . . 0.0 112.671 177.384 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 29.5 t -76.76 -35.29 24.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 112.71 168.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 28.6 tp -69.03 -65.54 0.69 Allowed 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.617 -1.302 . . . . 0.0 112.435 -177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -31.8 -59.14 0.27 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 118.169 2.655 . . . . 0.0 118.169 149.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 80.08 42.62 10.6 Favored Glycine 0 C--N 1.346 1.084 0 C-N-CA 126.085 1.803 . . . . 0.0 112.254 -171.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 3.8 pp -127.45 157.59 39.63 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-N 120.955 2.378 . . . . 0.0 104.698 -168.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 2.8 m -87.49 146.62 25.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.895 0.855 . . . . 0.0 111.211 -172.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.8 57.74 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.359 -2.088 . . . . 0.0 114.058 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -69.05 -29.38 67.51 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.818 -1.176 . . . . 0.0 113.392 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.92 -42.85 69.34 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.398 1.479 . . . . 0.0 110.16 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.03 89.57 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.597 1.159 . . . . 0.0 112.266 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 53.4 tttt -49.94 -67.49 0.26 Allowed 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.931 1.292 . . . . 0.0 114.054 166.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 4.0 p -68.03 -22.58 27.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.146 0 O-C-N 119.941 -1.725 . . . . 0.0 114.598 -173.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 18.0 mt -60.68 -51.99 67.02 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 125.497 1.519 . . . . 0.0 110.591 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -77.03 -20.86 55.41 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 74.2 mtm -75.18 -56.64 4.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 123.348 2.794 . . . . 0.0 114.419 171.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -104.21 -47.45 4.14 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 120.564 -1.335 . . . . 0.0 114.278 -170.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -70.07 -26.5 64.03 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.835 -1.165 . . . . 0.0 111.927 -173.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 77.14 35.21 39.03 Favored Glycine 0 CA--C 1.496 -1.094 0 C-N-CA 125.037 1.303 . . . . 0.0 113.143 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 64.6 mt -117.36 124.92 73.64 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 171.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -85.3 111.97 20.37 Favored 'General case' 0 N--CA 1.443 -0.801 0 O-C-N 120.7 -1.25 . . . . 0.0 113.036 -170.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 51.0 mtt -115.52 55.3 0.78 Allowed 'General case' 0 C--N 1.368 1.37 0 CA-C-N 120.118 1.326 . . . . 0.0 109.05 168.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -113.34 -39.39 4.14 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -165.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 74.7 p -74.53 -122.28 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 123.899 1.809 . . . . 0.0 115.538 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -110.45 117.14 32.77 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 129.062 2.945 . . . . 0.0 104.633 171.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.3 150.08 40.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -169.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 68.1 p -117.08 172.86 7.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.307 1.443 . . . . 0.0 110.234 -174.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 1.6 pp -45.12 -40.85 7.34 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 157.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -74.76 -50.62 16.69 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 125.591 1.556 . . . . 0.0 111.126 -172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . 0.334 5.5 mt-10 -63.93 -37.18 86.46 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 116.223 1.935 . . . . 0.0 116.223 175.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 34.2 m -54.94 -44.12 71.81 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 CA-C-N 122.385 2.357 . . . . 0.0 113.283 169.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -62.49 -38.58 96.57 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 124.581 1.086 . . . . 0.0 112.753 176.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -71.6 -37.99 70.92 Favored 'General case' 0 C--N 1.369 1.431 0 CA-C-O 123.037 1.399 . . . . 0.0 107.722 -172.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -72.46 -27.19 62.15 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.836 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -54.81 42.58 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 120.07 1.304 . . . . 0.0 112.919 168.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.16 -60.66 2.61 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 116.932 2.197 . . . . 0.0 116.932 163.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 86.3 t -58.58 -61.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 126.275 1.83 . . . . 0.0 112.989 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -46.44 -36.46 6.58 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 118.221 2.674 . . . . 0.0 118.221 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -70.04 -38.68 75.91 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 121.112 1.778 . . . . 0.0 110.058 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -62.56 -49.2 76.23 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.648 -1.16 . . . . 0.0 113.346 171.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -63.18 -32.65 74.1 Favored 'General case' 0 C--N 1.361 1.096 0 O-C-N 120.305 -1.497 . . . . 0.0 112.017 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . 0.407 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 10.1 mt -58.99 -42.1 85.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 O-C-N 119.523 -1.986 . . . . 0.0 111.302 167.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -73.13 -17.78 61.36 Favored 'General case' 0 C--N 1.367 1.359 0 CA-C-N 123.034 2.652 . . . . 0.0 111.08 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -73.89 -42.72 60.28 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.102 -1.624 . . . . 0.0 111.886 168.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.99 -49.64 37.58 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 C-N-CA 125.268 1.427 . . . . 0.0 113.072 163.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.48 -51.83 65.66 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 125.558 1.543 . . . . 0.0 112.346 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -47.65 -51.83 20.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.711 1.604 . . . . 0.0 114.727 170.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -76.16 -19.15 58.73 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 120.095 -1.628 . . . . 0.0 112.312 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -82.44 -38.71 23.61 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 125.167 1.387 . . . . 0.0 110.629 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.55 -9.42 58.66 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.124 -1.61 . . . . 0.0 114.439 174.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 42.5 mtm105 -88.26 -24.29 23.26 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.192 -1.568 . . . . 0.0 110.395 167.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -77.94 -40.93 37.99 Favored 'General case' 0 C--N 1.345 0.384 0 O-C-N 120.051 -1.656 . . . . 0.0 113.964 165.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 11.2 tp -82.56 72.17 9.63 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-O 123.38 1.562 . . . . 0.0 110.984 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -67.3 -41.77 84.83 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 125.595 1.558 . . . . 0.0 113.174 170.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -47.71 108.71 0.95 Allowed Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 125.658 1.583 . . . . 0.0 114.833 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -82.64 96.26 0.85 Allowed 'Trans proline' 0 N--CA 1.453 -0.884 0 CA-C-N 121.642 1.622 . . . . 0.0 112.893 -162.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 65.0 p -108.58 53.53 0.68 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.089 0.956 . . . . 0.0 109.438 167.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -88.84 101.08 13.68 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.819 1.295 . . . . 0.0 110.695 -173.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 42.2 m -88.24 -27.17 21.94 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 121.101 -0.999 . . . . 0.0 110.874 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 48.7 mp0 -79.86 163.15 24.59 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 -153.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 2.9 t -97.31 57.14 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 O-C-N 119.849 -1.782 . . . . 0.0 112.248 -176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 72.8 mt -103.44 19.97 18.72 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 118.54 -2.6 . . . . 0.0 109.061 -173.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 -73.18 2.04 8.05 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 116.382 1.993 . . . . 0.0 116.382 -174.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 49.1 m -76.67 -22.06 54.53 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 121.234 -0.916 . . . . 0.0 110.482 164.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.68 -90.86 0.43 Allowed 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.891 2.476 . . . . 0.0 106.555 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . 0.573 ' H ' HD23 ' B' ' 611' ' ' LEU . 2.6 pt? -95.05 133.6 38.67 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 124.397 3.271 . . . . 0.0 116.044 -166.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -74.78 -62.43 1.54 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 127.491 2.316 . . . . 0.0 115.835 172.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 51.4 t0 . . . . . 0 CA--C 1.556 1.209 0 C-N-CA 125.282 1.433 . . . . 0.0 110.759 -169.402 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 N--CA 1.442 -0.862 0 N-CA-C 105.695 -1.965 . . . . 0.0 105.695 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -94.11 172.26 8.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 128.929 2.892 . . . . 0.0 108.43 168.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -60.46 -30.94 69.99 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.844 -1.785 . . . . 0.0 112.117 173.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.18 -37.79 80.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 C-N-CA 124.183 0.993 . . . . 0.0 111.135 -175.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.13 -36.14 82.62 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.573 1.149 . . . . 0.0 112.996 173.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -64.25 -43.16 95.75 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.901 -1.75 . . . . 0.0 110.751 170.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.0 t -58.61 -50.91 77.4 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 125.135 1.374 . . . . 0.0 111.1 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -49.2 -41.04 35.67 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 126.387 1.875 . . . . 0.0 114.834 169.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -65.07 -51.19 62.88 Favored 'General case' 0 C--N 1.358 0.935 0 O-C-N 120.992 -1.067 . . . . 0.0 111.638 171.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.1 mt -48.08 -47.16 13.11 Favored 'Isoleucine or valine' 0 C--N 1.362 1.147 0 C-N-CA 124.655 1.182 . . . . 0.0 113.265 171.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -64.04 -55.14 23.73 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 120.939 -1.101 . . . . 0.0 109.762 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.1 m -53.68 -51.64 62.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 126.281 1.832 . . . . 0.0 112.973 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -77.07 -27.58 16.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 O-C-N 120.546 -1.346 . . . . 0.0 111.586 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.52 69.94 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 119.137 -2.227 . . . . 0.0 111.457 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.1 t -67.65 -32.94 73.96 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 125.37 2.509 . . . . 0.0 108.962 -169.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.86 -57.76 9.9 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 130.923 3.689 . . . . 0.0 110.774 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 mt -54.96 -47.54 74.37 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 123.388 1.566 . . . . 0.0 113.187 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.1 mm -62.46 -64.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.795 0 C-N-CA 126.498 1.919 . . . . 0.0 112.474 175.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.36 -19.48 59.55 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 118.075 -2.89 . . . . 0.0 114.301 -164.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -88.58 -52.11 5.34 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.662 0.785 . . . . 0.0 111.61 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.4 m -101.11 16.52 25.15 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 120.14 -1.6 . . . . 0.0 109.619 -174.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.297 2.4 ttm180 46.29 -105.75 0.12 Allowed 'General case' 0 C--N 1.362 1.12 0 CA-C-N 120.439 1.472 . . . . 0.0 113.797 -175.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -120.94 -4.08 9.63 Favored 'General case' 0 N--CA 1.42 -1.934 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -172.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -60.03 -43.59 95.22 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -166.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 pt -92.95 -22.55 5.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 O-C-N 118.22 -2.8 . . . . 0.0 112.105 174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.0 -43.37 58.33 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 C-N-CA 127.413 2.285 . . . . 0.0 114.082 -163.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -46.38 -55.24 7.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 131.69 3.996 . . . . 0.0 113.992 -177.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -65.22 102.76 0.69 Allowed 'General case' 0 C--N 1.354 0.773 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.958 -170.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -61.26 -47.46 85.95 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.058 -1.651 . . . . 0.0 115.251 -163.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.57 74.33 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.238 -1.539 . . . . 0.0 113.448 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.13 72.46 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.485 -1.384 . . . . 0.0 113.071 171.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -61.88 -54.03 47.62 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.089 -1.632 . . . . 0.0 113.833 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 34' ' ' ILE . 19.9 mt -40.72 -62.25 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 130.44 3.496 . . . . 0.0 113.61 156.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -29.78 69.1 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 119.212 -2.18 . . . . 0.0 116.023 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.35 -35.51 79.52 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 123.766 0.827 . . . . 0.0 110.939 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -66.23 -41.43 90.09 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.849 -1.157 . . . . 0.0 111.288 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -69.08 -51.99 33.02 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.298 -1.501 . . . . 0.0 110.65 -174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 40' ' ' ILE . 9.6 tp10 -25.98 -55.0 0.06 Allowed 'General case' 0 C--N 1.349 0.573 0 C-N-CA 129.511 3.124 . . . . 0.0 118.371 169.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.445 HG23 ' HG3' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 -3.94 10.56 Favored 'Isoleucine or valine' 0 C--N 1.349 0.565 0 O-C-N 120.441 -1.412 . . . . 0.0 113.177 179.688 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 57.86 2.26 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 120.406 -1.434 . . . . 0.0 114.446 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -99.42 100.63 10.81 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.732 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 172.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 48' ' ' LYS . 17.9 p -125.81 -166.84 1.61 Allowed 'General case' 0 C--N 1.356 0.864 0 CA-C-O 122.755 1.264 . . . . 0.0 108.991 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -173.9 129.9 0.4 Allowed 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 173.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.447 45.5 mt-10 63.3 13.98 7.45 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.122 -2.236 . . . . 0.0 115.371 -169.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.86 -38.71 3.0 Favored Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -61.07 107.91 0.8 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.894 0.878 . . . . 0.0 112.897 -171.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HA ' HG22 ' A' ' 43' ' ' THR . 0.0 OUTLIER -66.35 146.18 54.87 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 119.36 -2.087 . . . . 0.0 110.103 171.255 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.3 mt -77.05 86.6 3.55 Favored 'General case' 0 N--CA 1.438 -1.071 0 O-C-N 120.122 -1.611 . . . . 0.0 114.512 -158.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -75.9 168.99 19.01 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 124.535 1.134 . . . . 0.0 107.975 166.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -65.96 -24.44 66.8 Favored 'General case' 0 C--N 1.343 0.304 0 O-C-N 120.567 -1.333 . . . . 0.0 114.188 -164.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -61.04 -58.03 10.12 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.521 -1.362 . . . . 0.0 112.936 165.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -67.54 -36.06 80.26 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 128.117 2.567 . . . . 0.0 112.881 -172.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -59.43 -49.88 76.09 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.535 1.134 . . . . 0.0 112.483 171.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -79.23 -30.65 43.32 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.221 -1.549 . . . . 0.0 113.59 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -50.29 -33.98 21.85 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.389 1.075 . . . . 0.0 113.78 166.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . 0.305 28.9 pt -87.34 -62.41 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-O 116.563 -1.684 . . . . 0.0 113.605 165.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.86 -25.08 21.72 Favored 'Isoleucine or valine' 0 C--N 1.382 2.012 0 CA-C-N 123.288 2.767 . . . . 0.0 111.329 -150.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -91.82 -21.04 20.87 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 121.085 -1.009 . . . . 0.0 112.602 174.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.1 77.13 5.35 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 124.043 1.878 . . . . 0.0 108.97 173.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 81.2 mt -115.78 142.38 46.84 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 126.908 2.083 . . . . 0.0 106.613 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 m -82.97 160.91 21.93 Favored 'General case' 0 C--N 1.342 0.273 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 165.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -77.05 -37.78 54.05 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 119.39 -2.069 . . . . 0.0 113.25 -167.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.26 -53.74 52.28 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 126.04 1.736 . . . . 0.0 113.593 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -46.12 -63.16 1.05 Allowed 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 129.387 3.075 . . . . 0.0 115.513 170.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -51.1 -47.54 61.88 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 128.338 2.655 . . . . 0.0 114.28 172.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -66.12 -38.04 87.19 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 124.322 2.011 . . . . 0.0 107.879 -170.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.7 m -59.9 -44.75 94.07 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 126.956 2.103 . . . . 0.0 112.951 173.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.86 -32.11 72.43 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.86 -1.775 . . . . 0.0 113.622 171.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.64 -54.36 26.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.574 1.55 . . . . 0.0 111.024 171.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -39.14 68.04 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 126.031 1.732 . . . . 0.0 115.013 172.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.17 -50.76 13.7 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.816 -1.178 . . . . 0.0 113.683 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -116.73 74.93 0.93 Allowed 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.535 -1.353 . . . . 0.0 110.587 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -64.42 -45.84 85.82 Favored 'General case' 0 C--N 1.345 0.404 0 O-C-N 120.205 -1.559 . . . . 0.0 113.188 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -87.91 -22.35 24.43 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.521 -0.737 . . . . 0.0 111.578 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.13 -33.65 14.31 Favored Glycine 0 C--N 1.357 1.714 0 O-C-N 119.614 -1.929 . . . . 0.0 113.202 -175.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -69.63 -48.09 61.16 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.957 -1.319 . . . . 0.0 109.981 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -57.58 -43.49 84.61 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 124.995 1.318 . . . . 0.0 114.056 168.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.87 60.6 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 125.89 1.71 . . . . 0.0 114.554 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.48 -53.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 C-N-CA 124.826 1.25 . . . . 0.0 113.024 173.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -28.85 -63.08 0.11 Allowed 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.321 2.249 . . . . 0.0 115.654 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -57.38 -38.21 73.87 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 -178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.282 1.7 p90 -80.43 -31.25 37.61 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 119.844 -1.785 . . . . 0.0 112.137 176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.29 -55.13 31.23 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.85 -1.156 . . . . 0.0 112.156 173.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.27 -37.66 83.94 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.584 1.154 . . . . 0.0 113.528 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.0 ttp -65.0 -63.6 1.07 Allowed 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.215 1.006 . . . . 0.0 113.546 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.45 -32.88 28.74 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.756 -1.215 . . . . 0.0 113.807 -169.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 62.4 p -98.82 87.37 3.73 Favored 'General case' 0 CA--C 1.504 -0.793 0 O-C-N 120.713 -1.242 . . . . 0.0 112.197 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.77 124.5 30.96 Favored 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.017 2.228 . . . . 0.0 117.017 -169.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm . . . . . 0 C--N 1.364 1.236 0 C-N-CA 128.097 2.559 . . . . 0.0 109.658 170.448 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . 0.261 2.1 p30 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 95.1 t -48.22 -45.74 13.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 168.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.57 -50.03 73.13 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.099 -1.626 . . . . 0.0 114.071 173.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -73.13 -37.02 66.8 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 121.014 -1.054 . . . . 0.0 113.114 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 124.77 -18.93 7.07 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 120.248 -1.533 . . . . 0.0 113.417 168.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.12 134.72 41.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.601 1.56 . . . . 0.0 111.833 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 7.6 p -88.91 178.22 6.48 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 124.077 1.894 . . . . 0.0 115.729 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -46.69 -23.33 0.4 Allowed 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 127.35 2.26 . . . . 0.0 116.805 156.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -71.17 -54.2 11.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.898 1.809 . . . . 0.0 111.295 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -54.3 -45.79 72.63 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 126.927 2.091 . . . . 0.0 113.273 172.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.3 -28.11 69.79 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 124.284 1.034 . . . . 0.0 113.255 174.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 13.7 tptm -70.43 -44.88 66.98 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.911 -1.118 . . . . 0.0 110.009 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.12 -47.29 93.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.989 0 CA-C-O 122.706 1.241 . . . . 0.0 111.682 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 69.2 mt -53.48 -36.0 61.2 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 126.875 2.07 . . . . 0.0 113.729 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 32.1 tpt85 -66.39 -39.49 89.09 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-O 125.339 2.495 . . . . 0.0 111.527 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 41.8 mtt -101.6 -62.75 1.22 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 111.122 -2.763 . . . . 0.0 112.005 -162.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 59.0 mtt85 -81.85 -46.15 14.54 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 122.085 0.945 . . . . 0.0 110.307 -169.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -73.31 -31.31 63.95 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 174.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 72.77 42.2 47.14 Favored Glycine 0 C--N 1.349 1.264 0 C-N-CA 125.218 1.389 . . . . 0.0 113.487 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 97.4 mt -107.7 132.05 56.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 CA-C-N 119.071 1.435 . . . . 0.0 107.901 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -80.11 99.9 7.96 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.964 1.306 . . . . 0.0 112.74 -170.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 49.6 mtp -113.61 38.85 2.8 Favored 'General case' 0 C--N 1.369 1.446 0 O-C-N 119.965 -1.709 . . . . 0.0 110.463 178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -107.82 -10.86 15.49 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.981 1.312 . . . . 0.0 112.127 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 57.4 p -84.85 -175.02 5.59 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 123.129 1.442 . . . . 0.0 111.887 172.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.12 125.73 24.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 127.242 2.217 . . . . 0.0 112.035 160.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -119.16 118.47 31.45 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 124.656 1.183 . . . . 0.0 107.915 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 67.3 p -79.8 169.34 18.07 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 121.602 -0.686 . . . . 0.0 109.783 167.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.52 -26.55 58.16 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.154 -1.591 . . . . 0.0 112.27 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.44 -35.6 73.45 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.158 -1.589 . . . . 0.0 111.885 166.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -67.75 -39.03 84.22 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 119.386 -2.071 . . . . 0.0 114.209 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.23 -53.38 8.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 O-C-N 120.671 -1.268 . . . . 0.0 112.29 161.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -58.41 -49.75 73.43 Favored Glycine 0 C--N 1.353 1.527 0 C-N-CA 125.205 1.383 . . . . 0.0 115.406 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -67.45 -38.22 84.16 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.219 -1.754 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -69.43 -19.33 63.79 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.736 -1.227 . . . . 0.0 112.19 176.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.12 -53.48 37.33 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.669 -1.27 . . . . 0.0 110.945 170.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.49 -26.55 60.08 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 120.193 -1.567 . . . . 0.0 112.695 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.08 -50.96 33.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 C-N-CA 123.799 0.84 . . . . 0.0 112.141 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . 0.256 1.5 t -57.59 -36.01 71.15 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 118.753 -2.467 . . . . 0.0 116.184 167.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -59.93 -45.8 91.43 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.78 -1.825 . . . . 0.0 112.022 169.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -50.38 -55.1 17.17 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.817 1.247 . . . . 0.0 113.709 165.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -51.31 -42.52 61.24 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 121.054 -1.029 . . . . 0.0 113.427 175.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 75.6 mt -59.1 -38.76 76.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-N 121.175 1.807 . . . . 0.0 112.858 175.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -69.32 -25.59 64.29 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.852 -1.78 . . . . 0.0 110.904 176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -78.23 -14.29 59.5 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 119.839 -1.788 . . . . 0.0 111.795 170.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 67.0 mt -76.28 -40.46 35.89 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 O-C-N 118.515 -2.616 . . . . 0.0 107.496 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -60.74 -39.97 90.66 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 126.698 1.999 . . . . 0.0 110.936 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -37.26 -52.4 1.06 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 166.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -87.08 -31.96 20.2 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.339 1.543 . . . . 0.0 111.055 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -68.25 -36.86 80.09 Favored 'General case' 0 N--CA 1.447 -0.576 0 O-C-N 121.002 -1.061 . . . . 0.0 110.756 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 94.6 mt -77.98 12.28 1.86 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 163.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -97.89 -43.58 7.05 Favored 'General case' 0 C--N 1.346 0.423 0 O-C-N 119.778 -1.826 . . . . 0.0 106.667 160.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -65.27 -47.28 77.23 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.369 -1.457 . . . . 0.0 114.094 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 16.2 tp -85.89 99.1 11.17 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 121.216 -0.928 . . . . 0.0 109.657 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -80.28 -26.78 38.74 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.238 1.415 . . . . 0.0 111.724 174.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -54.92 146.44 37.83 Favored Pre-proline 0 C--N 1.355 0.807 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 178.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -60.22 109.95 0.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 122.29 1.994 . . . . 0.0 114.592 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 10.9 p -90.98 -67.58 0.84 Allowed 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.884 1.273 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -122.14 148.18 45.23 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 130.545 3.538 . . . . 0.0 103.658 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 34.5 p -99.79 -31.89 11.3 Favored 'General case' 0 CA--C 1.516 -0.354 0 O-C-N 119.87 -1.769 . . . . 0.0 112.121 -174.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -87.41 166.77 14.58 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 122.929 1.347 . . . . 0.0 113.713 176.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 20.6 t -91.05 82.17 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 123.348 1.547 . . . . 0.0 109.521 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 7.6 tp -86.46 43.53 1.08 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 124.082 1.896 . . . . 0.0 113.158 -170.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -143.57 -12.2 0.69 Allowed 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.962 2.105 . . . . 0.0 108.922 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 15.7 t -79.66 88.22 5.17 Favored 'General case' 0 C--N 1.362 1.125 0 O-C-N 120.42 -1.425 . . . . 0.0 110.284 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 18.63 50.6 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 121.42 3.859 . . . . 0.0 121.42 177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . 0.657 ' H ' HD23 ' B' ' 611' ' ' LEU . 0.3 OUTLIER -50.85 100.53 0.03 OUTLIER 'General case' 0 C--N 1.344 0.343 0 C-N-CA 129.524 3.13 . . . . 0.0 112.286 153.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . 0.25 57.4 m-20 80.77 -99.37 0.01 OUTLIER 'General case' 0 C--N 1.352 0.71 0 C-N-CA 127.174 2.189 . . . . 0.0 111.048 -172.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 CA--C 1.549 0.93 0 C-N-CA 124.267 1.027 . . . . 0.0 112.532 -176.668 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 N--CA 1.441 -0.902 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -102.06 165.88 10.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 128.377 2.671 . . . . 0.0 104.653 165.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -60.3 -23.31 64.09 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.523 -1.986 . . . . 0.0 114.302 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.98 -36.57 51.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 O-C-N 120.791 -1.193 . . . . 0.0 111.471 -171.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -49.61 -49.74 45.62 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 127.142 2.177 . . . . 0.0 115.212 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.3 t -71.28 -39.49 71.51 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.607 -1.308 . . . . 0.0 111.256 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -57.38 -52.43 56.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 121.009 -1.057 . . . . 0.0 112.041 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -53.1 -39.35 63.34 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.977 -1.702 . . . . 0.0 114.481 171.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -61.56 -55.06 35.05 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 125.303 1.441 . . . . 0.0 112.164 172.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.01 -49.51 15.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 C-N-CA 127.296 2.238 . . . . 0.0 113.736 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.9 mt -59.75 -51.18 75.76 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.584 1.154 . . . . 0.0 110.896 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.2 m -56.75 -51.52 68.56 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.751 1.22 . . . . 0.0 113.019 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.04 -22.56 15.82 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.656 -1.278 . . . . 0.0 112.452 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.75 60.2 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 119.781 -1.825 . . . . 0.0 112.387 167.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 m -80.77 -49.84 10.62 Favored 'General case' 0 C--N 1.363 1.179 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 -171.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mt -32.67 -52.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.066 0 C-N-CA 130.151 3.38 . . . . 0.0 114.777 162.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.37 -45.04 80.68 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 122.741 1.257 . . . . 0.0 113.151 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.4 mm -68.66 -57.93 7.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 C-N-CA 125.799 1.64 . . . . 0.0 109.297 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -73.74 -40.05 63.81 Favored 'General case' 0 C--N 1.347 0.481 0 O-C-N 119.224 -2.173 . . . . 0.0 111.702 -160.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -73.75 -52.55 12.82 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 114.69 -1.141 . . . . 0.0 112.577 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -110.89 -27.81 8.65 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.35 -1.469 . . . . 0.0 113.98 -174.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . 0.492 28.8 mmt180 87.92 -115.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.551 0 C-N-CA 127.999 2.519 . . . . 0.0 113.987 -174.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -99.05 17.27 20.16 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.714 -1.241 . . . . 0.0 114.17 -167.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -71.45 -63.64 1.08 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mp -79.82 -32.94 14.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 120.259 -1.526 . . . . 0.0 108.63 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.43 -47.44 58.78 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.695 1.598 . . . . 0.0 113.512 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.8 -58.61 7.37 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -73.58 118.62 16.76 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.844 -164.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -69.4 -41.12 76.84 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.777 -1.202 . . . . 0.0 114.07 -163.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.97 -47.88 70.22 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.709 0.804 . . . . 0.0 110.992 176.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -58.99 -33.26 70.5 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.933 1.693 . . . . 0.0 114.761 -176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -68.02 -61.75 1.72 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.717 1.207 . . . . 0.0 112.922 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.43 ' H ' HG13 ' A' ' 34' ' ' ILE . 31.6 mt -35.01 -61.01 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 129.551 3.14 . . . . 0.0 114.147 148.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.04 -31.38 51.27 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 118.386 -2.696 . . . . 0.0 115.935 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -41.05 68.04 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 126.014 1.726 . . . . 0.0 110.879 -178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.0 mt -64.18 -48.84 74.4 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-O 121.682 0.753 . . . . 0.0 110.557 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -56.27 -53.33 58.5 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 125.439 1.496 . . . . 0.0 114.07 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -43.06 -51.72 5.65 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 118.218 2.673 . . . . 0.0 118.218 167.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.97 -5.18 9.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 O-C-N 120.196 -1.565 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.65 48.72 7.04 Favored Glycine 0 CA--C 1.495 -1.17 0 O-C-N 121.06 -1.025 . . . . 0.0 113.683 170.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.5 t -80.12 118.26 27.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.676 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 165.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 48' ' ' LYS . 51.4 p -153.3 130.74 11.36 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 123.536 0.734 . . . . 0.0 110.884 -173.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -111.91 143.36 43.0 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 120.63 -1.294 . . . . 0.0 110.988 170.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 54.42 22.22 3.71 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.045 1.738 . . . . 0.0 114.909 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 93.3 -7.48 75.52 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 119.7 -1.875 . . . . 0.0 114.917 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -101.86 135.69 42.98 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 118.378 1.089 . . . . 0.0 110.23 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HA ' HG22 ' A' ' 43' ' ' THR . 21.0 pttp -77.08 128.43 34.43 Favored 'General case' 0 N--CA 1.445 -0.684 0 O-C-N 120.563 -1.336 . . . . 0.0 110.239 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . 0.328 0.7 OUTLIER -79.12 98.27 6.48 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 119.33 -2.106 . . . . 0.0 116.145 -172.001 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -71.33 179.4 2.93 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.367 -1.288 . . . . 0.0 110.729 153.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -57.79 -35.8 71.3 Favored 'General case' 0 C--N 1.353 0.743 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.18 -55.83 27.68 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.837 -1.165 . . . . 0.0 113.651 173.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.3 t -63.63 -43.54 96.52 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 123.968 0.907 . . . . 0.0 112.56 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.77 -52.0 61.61 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 125.82 1.648 . . . . 0.0 113.854 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -77.36 -33.46 55.29 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.625 -1.297 . . . . 0.0 113.112 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -59.64 -50.7 72.83 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.354 1.461 . . . . 0.0 113.338 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.17 -36.51 76.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.587 0 O-C-N 120.765 -1.209 . . . . 0.0 112.48 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.4 t -79.44 -16.58 13.17 Favored 'Isoleucine or valine' 0 C--N 1.37 1.491 0 O-C-N 119.193 -2.192 . . . . 0.0 109.532 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.8 t -80.95 -26.21 36.81 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 126.853 2.061 . . . . 0.0 113.165 170.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -54.57 -23.87 18.61 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 120.913 3.671 . . . . 0.0 120.913 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.36 160.46 26.7 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -174.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.9 p -81.97 -178.22 6.92 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.202 -1.561 . . . . 0.0 113.333 -175.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -66.22 -51.04 61.52 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.971 1.308 . . . . 0.0 112.65 172.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.53 -42.7 97.02 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 124.057 0.943 . . . . 0.0 112.8 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.257 18.3 m-20 -51.2 -59.87 3.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 123.261 1.505 . . . . 0.0 114.416 173.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.5 -40.39 96.96 Favored 'General case' 0 C--N 1.362 1.146 0 CA-C-N 114.053 -1.43 . . . . 0.0 111.38 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -66.95 -39.73 87.35 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 123.52 0.728 . . . . 0.0 109.802 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 m -54.65 -48.08 72.74 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.08 0.855 . . . . 0.0 113.154 170.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.58 -49.0 70.42 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.089 -1.007 . . . . 0.0 113.193 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.5 mt -46.31 -56.06 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.042 1.737 . . . . 0.0 111.682 166.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -40.57 96.7 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 120.932 -1.105 . . . . 0.0 113.632 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.34 -52.18 36.17 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.964 0.906 . . . . 0.0 112.427 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.55 92.02 3.53 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 121.249 -0.907 . . . . 0.0 110.855 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -74.28 -47.03 37.53 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.289 1.036 . . . . 0.0 111.438 -174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -68.52 -37.02 79.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.709 -1.244 . . . . 0.0 111.483 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.76 -64.51 4.24 Favored Glycine 0 C--N 1.352 1.444 0 C-N-CA 125.132 1.349 . . . . 0.0 114.978 171.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -71.1 -58.19 3.8 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.871 -1.37 . . . . 0.0 112.322 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -68.6 -27.55 66.14 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 121.565 -0.71 . . . . 0.0 112.852 -172.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.54 51.81 Favored Glycine 0 C--N 1.347 1.189 0 O-C-N 121.869 -0.519 . . . . 0.0 112.867 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -72.24 -47.83 51.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 O-C-N 120.076 -1.838 . . . . 0.0 113.138 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -26.58 -66.59 0.06 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 155.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.3 ttm105 -68.34 -44.88 74.33 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.931 0.892 . . . . 0.0 113.221 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . 0.365 0.2 OUTLIER -69.55 -41.79 75.45 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 179.509 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 tp -58.03 -41.35 83.02 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.826 -1.171 . . . . 0.0 112.746 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -74.72 -31.28 61.79 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 23.6 ptt? -89.03 -30.35 18.78 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -73.78 -13.11 60.89 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.265 -1.522 . . . . 0.0 113.228 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -89.08 114.75 26.02 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.269 -1.52 . . . . 0.0 111.314 168.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -92.32 107.74 19.44 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 122.199 0.999 . . . . 0.0 110.988 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt . . . . . 0 C--N 1.353 0.73 0 C-N-CA 128.776 2.831 . . . . 0.0 117.05 166.799 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 546' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.975 0.416 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 547' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.52 -34.12 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 120.358 -1.464 . . . . 0.0 112.906 170.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 548' ' ' LEU . . . . . . . . . . . . . 78.1 mt -75.43 -52.92 9.6 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.209 -1.557 . . . . 0.0 114.772 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 549' ' ' ALA . . . . . . . . . . . . . . . -30.29 -58.38 0.19 Allowed 'General case' 0 C--N 1.356 0.853 0 N-CA-C 117.644 2.461 . . . . 0.0 117.644 144.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 550' ' ' GLY . . . . . . . . . . . . . . . 84.61 59.58 1.99 Allowed Glycine 0 CA--C 1.487 -1.702 0 C-N-CA 127.304 2.383 . . . . 0.0 111.245 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 551' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.02 148.55 45.23 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-N 121.154 2.477 . . . . 0.0 104.653 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 552' ' ' THR . . . . . . . . . . . . . 5.9 m -76.63 152.85 35.71 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 121.24 -0.913 . . . . 0.0 111.131 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 553' ' ' ALA . . . . . . . . . . . . . . . -54.95 -33.5 62.37 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 118.86 -2.4 . . . . 0.0 114.331 173.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 554' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -63.47 -33.83 76.44 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 120.556 -1.34 . . . . 0.0 112.645 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 555' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.34 -41.58 66.32 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 125.554 1.541 . . . . 0.0 109.949 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.31 99.09 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.215 -0.928 . . . . 0.0 111.891 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 557' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -48.45 -61.59 1.93 Allowed 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.887 1.675 . . . . 0.0 115.467 168.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 558' ' ' VAL . . . . . . . . . . . . . 1.7 p -67.51 -25.93 34.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.024 0 O-C-N 119.399 -2.063 . . . . 0.0 115.029 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 559' ' ' LEU . . . . . . . . . . . . . 51.1 mt -67.62 -49.11 64.63 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.59 1.156 . . . . 0.0 110.373 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -72.1 -8.66 55.89 Favored 'General case' 0 C--N 1.345 0.41 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 171.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 561' ' ' MET . . . . . . . . . . . . . 72.2 mtm -91.84 -65.66 0.99 Allowed 'General case' 0 C--N 1.349 0.563 0 O-C-N 119.642 -1.911 . . . . 0.0 111.534 171.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 562' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -94.64 -40.66 9.7 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 124.402 1.081 . . . . 0.0 112.996 -167.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 563' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -78.52 -21.99 48.02 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.879 -1.138 . . . . 0.0 111.246 -171.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 564' ' ' GLY . . . . . . . . . . . . . . . 89.11 16.71 57.29 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 124.43 1.014 . . . . 0.0 114.164 173.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 565' ' ' ILE . . . . . . . . . . . . . 76.8 mt -102.4 121.53 53.59 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 566' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -80.85 126.0 30.8 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 120.779 -1.201 . . . . 0.0 109.296 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 567' ' ' MET . . . . . . . . . . . . . 15.5 ptp -142.01 52.57 1.48 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.038 0.923 . . . . 0.0 109.802 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 568' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -107.5 -20.9 13.1 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 122.277 1.037 . . . . 0.0 110.871 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 569' ' ' THR . . . . . . . . . . . . . 1.2 t -91.32 169.78 10.52 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.266 1.826 . . . . 0.0 109.815 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 570' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.49 113.29 1.54 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 127.381 2.272 . . . . 0.0 115.444 -174.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 571' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -118.47 80.79 1.58 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.715 1.721 . . . . 0.0 108.997 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 572' ' ' THR . . . . . . . . . . . . . 2.0 p -72.41 161.37 30.91 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 120.654 -1.278 . . . . 0.0 111.384 175.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 573' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.09 -28.56 58.19 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 -167.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 574' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -70.55 -41.16 72.85 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 119.517 -1.989 . . . . 0.0 111.575 176.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 575' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -69.9 -34.93 74.17 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 128.911 2.884 . . . . 0.0 112.133 174.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 576' ' ' VAL . . . . . . . . . . . . . 61.7 t -57.38 -44.75 84.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.608 0 O-C-N 120.286 -1.509 . . . . 0.0 112.698 169.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 577' ' ' GLY . . . . . . . . . . . . . . . -57.99 -48.75 80.62 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 121.103 -0.998 . . . . 0.0 114.038 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 578' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -51.92 -48.48 64.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 127.318 2.247 . . . . 0.0 115.662 163.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 579' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -23.86 62.34 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 118.266 -2.771 . . . . 0.0 113.699 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 580' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -53.35 14.55 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.481 1.112 . . . . 0.0 113.276 175.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 581' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -39.15 -58.8 1.1 Allowed 'General case' 0 C--N 1.349 0.557 0 C-N-CA 126.66 1.984 . . . . 0.0 115.762 159.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 582' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.69 -47.81 84.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 C-N-CA 124.406 1.082 . . . . 0.0 111.91 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 583' ' ' THR . . . . . . . . . . . . . 29.1 m -49.61 -43.92 46.83 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 167.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 584' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -67.34 -42.86 82.85 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 119.886 -1.759 . . . . 0.0 110.823 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 585' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -52.21 -53.43 43.55 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.956 1.302 . . . . 0.0 110.678 166.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 586' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -57.59 -43.52 84.68 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 120.857 1.662 . . . . 0.0 111.088 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 587' ' ' ILE . . . . . . . . . . . . . 35.6 mt -58.48 -47.93 86.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 O-C-N 120.616 -1.303 . . . . 0.0 114.024 172.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 588' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -72.6 -22.37 60.98 Favored 'General case' 0 C--N 1.374 1.648 0 CA-C-N 123.742 2.974 . . . . 0.0 110.488 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 589' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -68.43 -40.01 81.32 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 119.998 -1.689 . . . . 0.0 114.162 166.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 590' ' ' ILE . . . . . . . . . . . . . 98.6 mt -58.88 -50.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 O-C-N 120.649 -1.282 . . . . 0.0 113.529 165.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 591' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.81 -48.8 72.32 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 126.523 1.929 . . . . 0.0 112.399 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 592' ' ' ALA . . . . . . . . . . . . . . . -46.62 -50.35 17.68 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.077 1.751 . . . . 0.0 114.391 167.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 593' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -73.02 -34.12 66.15 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 120.826 -1.171 . . . . 0.0 111.943 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 594' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.47 78.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 124.622 1.169 . . . . 0.0 111.636 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 595' ' ' LEU . . . . . . . . . . . . . 96.2 mt -72.14 -6.31 41.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 169.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 596' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -92.91 -33.66 14.11 Favored 'General case' 0 C--N 1.345 0.37 0 O-C-N 120.103 -1.623 . . . . 0.0 109.719 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 597' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -71.14 -24.61 62.3 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 119.759 -1.838 . . . . 0.0 112.284 170.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 598' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.84 125.37 23.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 120.634 -1.292 . . . . 0.0 114.485 162.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 599' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -103.47 -48.23 4.04 Favored 'General case' 0 CA--C 1.508 -0.638 0 O-C-N 120.173 -1.579 . . . . 0.0 110.408 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 600' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -86.9 103.97 5.18 Favored Pre-proline 0 N--CA 1.444 -0.753 0 CA-C-O 117.308 -1.33 . . . . 0.0 109.326 172.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 601' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -73.69 149.13 42.85 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 CA-C-N 124.226 2.545 . . . . 0.0 110.426 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 602' ' ' SER . . . . . . . . . . . . . 3.8 p -142.77 122.74 13.58 Favored 'General case' 0 CA--C 1.503 -0.837 0 CA-C-O 122.363 1.077 . . . . 0.0 109.07 170.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 603' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -118.36 154.75 31.86 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 174.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 604' ' ' SER . . . . . . . . . . . . . 50.9 m -98.78 -45.1 6.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 174.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 605' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -131.73 135.48 46.86 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 122.59 1.186 . . . . 0.0 111.132 170.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 606' ' ' VAL . . . . . . . . . . . . . 35.9 m -81.19 33.48 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 607' ' ' LEU . . . . . . . . . . . . . 63.5 mt -42.18 129.1 3.75 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 157.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 608' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -133.33 -53.94 0.9 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-O 122.209 1.004 . . . . 0.0 112.174 -173.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 609' ' ' SER . . . . . . . . . . . . . 22.9 t -150.65 -157.78 0.85 Allowed 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 172.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 610' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -72.92 27.72 0.06 Allowed 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -170.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 611' ' ' LEU . . . . . . . . . . . . . 3.0 pp -114.22 -179.86 3.75 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 126.425 1.89 . . . . 0.0 111.319 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 612' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 68.44 -43.1 0.49 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 116.705 2.113 . . . . 0.0 116.705 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 613' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 CA--C 1.554 1.111 0 O-C-N 120.541 -1.349 . . . . 0.0 110.894 179.06 . . . . . . . . 0 0 . 1 stop_ save_