data_6vxw_residue ############################ # Computer software used # ############################ 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 6vxw _Structure_validation_residue.Date_analyzed 2020-07-03 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.9 tttt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -130.0 163.8 25.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.788 1.235 . . . . 0.0 112.012 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.05 140.11 5.78 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -58.54 138.0 57.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.396 1.479 . . . . 0.0 112.555 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.5 tp -79.38 120.82 24.35 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.093 -1.004 . . . . 0.0 111.194 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.95 147.94 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.63 1.572 . . . . 0.0 110.563 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -80.87 142.26 33.79 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -70.89 -10.35 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -176.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.74 -35.24 0.8 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.281 1.032 . . . . 0.0 111.294 -174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -81.67 -24.37 36.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.204 1.001 . . . . 0.0 113.027 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.34 11.51 56.25 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.33 154.36 20.38 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.052 1.426 . . . . 0.0 114.202 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.99 161.58 8.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.213 2.205 . . . . 0.0 114.066 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -124.93 101.71 7.19 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.056 1.342 . . . . 0.0 110.279 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.2 p -81.57 149.01 28.84 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.63 173.9 16.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.229 1.412 . . . . 0.0 112.703 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.62 159.7 21.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.211 1.404 . . . . 0.0 112.8 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -53.66 123.67 12.9 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.8 mt 45.98 -110.11 0.24 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.434 1.893 . . . . 0.0 114.425 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -5.96 30.53 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.966 2.698 . . . . 0.0 116.233 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -78.61 41.2 0.4 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.265 2.033 . . . . 0.0 110.827 169.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -72.63 13.89 0.31 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.851 3.261 . . . . 0.0 117.165 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -58.84 -34.57 71.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -81.14 -39.09 26.12 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.445 1.098 . . . . 0.0 112.094 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.58 -47.16 82.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.189 0.996 . . . . 0.0 113.042 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.89 -37.76 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 121.287 -0.883 . . . . 0.0 111.557 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -66.3 -26.03 67.13 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.954 1.302 . . . . 0.0 114.21 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.1 -50.36 13.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.626 1.103 . . . . 0.0 110.756 167.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.55 -42.91 83.9 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.636 -0.665 . . . . 0.0 112.225 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -77.96 -6.92 55.97 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.6 mt -108.18 -23.37 11.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.242 1.017 . . . . 0.0 113.417 171.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -71.11 -49.62 42.33 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.762 1.625 . . . . 0.0 111.505 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -104.62 -167.52 1.36 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.207 1.803 . . . . 0.0 110.351 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 150.99 3.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.783 1.233 . . . . 0.0 114.064 167.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.21 -16.6 54.31 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -78.38 0.56 25.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.936 1.695 . . . . 0.0 114.519 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.31 165.12 16.98 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.382 0.992 . . . . 0.0 113.571 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -141.24 -176.56 4.75 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.138 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.94 170.42 37.98 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.115 -0.991 . . . . 0.0 114.906 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.36 168.67 19.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.337 1.455 . . . . 0.0 112.915 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -97.77 67.43 1.99 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 112.204 -169.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.55 122.03 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.201 1.401 . . . . 0.0 110.63 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.54 46.05 23.74 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.276 1.03 . . . . 0.0 113.197 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 60.18 19.81 9.16 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.142 1.777 . . . . 0.0 114.864 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.62 145.64 48.81 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.507 1.123 . . . . 0.0 112.36 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.16 130.79 43.03 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.068 0.937 . . . . 0.0 112.852 -169.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -132.0 109.31 9.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.977 2.511 . . . . 0.0 107.989 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -80.26 143.65 33.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.557 0.743 . . . . 0.0 112.014 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.4 p -138.72 171.42 14.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.8 1.64 . . . . 0.0 111.89 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.2 m80 59.18 34.18 23.07 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.374 1.07 . . . . 0.0 112.603 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.4 mt -92.56 151.8 19.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.272 1.429 . . . . 0.0 113.057 -173.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.09 171.25 11.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.754 2.422 . . . . 0.0 114.498 169.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.08 -26.8 61.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.186 0.995 . . . . 0.0 113.229 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -75.35 -0.97 21.61 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 140.89 34.06 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.047 1.294 . . . . 0.0 110.153 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.6 -63.25 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.28 15.6 t 61.62 -102.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 126.9 2.08 . . . . 0.0 114.689 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.8 m-90 -57.13 -32.43 13.33 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -64.52 4.77 0.53 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.677 2.918 . . . . 0.0 117.139 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.52 153.09 62.93 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.941 1.297 . . . . 0.0 112.097 169.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.51 -21.92 11.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.468 2.778 . . . . 0.0 115.518 -171.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -131.65 -63.63 0.82 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.253 1.388 . . . . 0.0 112.906 -174.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.358 0.0 OUTLIER 40.31 28.74 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 119.538 3.162 . . . . 0.0 119.538 177.62 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 124.875 1.27 . . . . 0.0 110.15 169.389 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.9 tttt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -87.0 171.19 10.94 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.181 0.992 . . . . 0.0 112.058 170.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.38 -179.21 44.85 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.173 0.892 . . . . 0.0 114.377 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -120.76 129.73 53.73 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.035 -1.273 . . . . 0.0 110.792 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -70.4 117.36 11.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.578 0.626 . . . . 0.0 111.69 -172.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 p -155.04 145.78 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 126.634 1.973 . . . . 0.0 109.356 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.81 110.88 14.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.339 -0.851 . . . . 0.0 109.818 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -59.47 -26.38 65.19 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -79.46 -44.09 22.0 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.057 -1.027 . . . . 0.0 111.769 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 p -144.5 104.34 4.05 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.558 1.943 . . . . 0.0 108.076 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.76 58.29 0.51 Allowed Glycine 0 N--CA 1.468 0.822 0 C-N-CA 126.859 2.171 . . . . 0.0 117.9 -166.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 144.84 56.43 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.031 0.915 . . . . 0.0 112.18 170.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -73.3 146.65 45.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.499 1.119 . . . . 0.0 112.546 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.27 89.1 2.99 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.435 1.494 . . . . 0.0 108.94 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 p -76.0 166.11 23.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.631 1.972 . . . . 0.0 114.228 -168.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -127.19 142.09 51.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.294 1.438 . . . . 0.0 110.166 168.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.23 -36.51 61.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.54 1.136 . . . . 0.0 112.467 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -151.77 168.08 26.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.485 1.514 . . . . 0.0 112.196 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.8 158.33 32.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.473 -0.767 . . . . 0.0 111.421 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.85 -2.61 54.29 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 116.584 1.393 . . . . 0.0 116.584 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.93 56.23 3.65 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.802 1.801 . . . . 0.0 110.448 169.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -60.89 -33.0 72.44 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.934 0.894 . . . . 0.0 111.766 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.01 -39.93 56.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.511 1.925 . . . . 0.0 113.826 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.19 -48.04 74.82 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.935 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 t -70.25 -33.45 71.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.917 0.887 . . . . 0.0 113.027 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.69 -49.83 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.818 0.847 . . . . 0.0 110.084 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.3 mtm-85 -62.1 -49.01 77.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.139 0.576 . . . . 0.0 112.266 174.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -60.27 -40.77 91.55 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.891 1.223 . . . . 0.0 113.649 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.58 -47.9 65.59 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.85 0.75 . . . . 0.0 111.325 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -71.3 -22.89 61.89 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.5 mt -80.63 -16.26 54.52 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 170.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -91.69 -33.81 14.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.178 0.991 . . . . 0.0 113.548 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -115.15 -76.83 0.57 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.931 0.892 . . . . 0.0 113.226 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.53 152.45 23.67 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.691 1.597 . . . . 0.0 110.897 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -62.4 -25.95 68.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -168.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -74.3 -9.46 58.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.48 158.9 32.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -135.68 177.85 7.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.959 2.104 . . . . 0.0 110.831 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.65 -175.91 47.66 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 114.951 0.741 . . . . 0.0 114.951 173.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.71 161.48 42.51 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.854 1.662 . . . . 0.0 112.426 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.1 132.29 35.11 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.321 -0.862 . . . . 0.0 111.731 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -154.61 140.66 18.37 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.094 0.958 . . . . 0.0 111.472 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.2 43.59 22.79 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 118.982 0.81 . . . . 0.0 112.951 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 58.7 27.92 16.56 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.65 2.38 . . . . 0.0 115.304 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.4 160.41 43.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.759 1.223 . . . . 0.0 112.525 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.75 123.43 31.9 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.006 -1.059 . . . . 0.0 112.506 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -102.06 129.98 48.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 109.165 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.74 150.36 20.47 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 112.432 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -139.91 167.55 21.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.213 1.405 . . . . 0.0 111.779 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.9 m80 62.94 8.97 3.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.787 2.435 . . . . 0.0 116.074 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.21 158.49 11.37 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.212 1.805 . . . . 0.0 112.452 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -56.55 148.9 18.48 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.98 -9.48 21.89 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -105.28 4.12 30.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 130.19 43.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.43 1.014 . . . . 0.0 113.024 -173.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 p -153.49 58.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 124.029 1.871 . . . . 0.0 110.604 -169.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.01 -30.11 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.679 1.592 . . . . 0.0 112.654 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.344 4.2 m-90 -80.01 -160.37 0.02 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 125.92 1.688 . . . . 0.0 115.156 -166.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.26 0.1 OUTLIER 36.21 64.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.093 2.529 . . . . 0.0 115.378 -161.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.67 127.43 92.63 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.005 0.922 . . . . 0.0 112.419 -173.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -71.31 -16.27 31.33 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.403 2.736 . . . . 0.0 115.007 -174.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -130.95 -26.38 2.18 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tptm 64.34 -29.23 0.1 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 119.293 3.072 . . . . 0.0 119.293 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 126.253 1.821 . . . . 0.0 112.509 174.685 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 93.2 mttt . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 120.585 0.231 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -126.26 138.39 53.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.169 1.388 . . . . 0.0 109.117 169.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.63 -169.49 40.05 Favored Glycine 0 N--CA 1.47 0.905 0 N-CA-C 115.513 0.965 . . . . 0.0 115.513 -172.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -70.2 140.25 52.46 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.81 94.35 2.75 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 105.385 -2.08 . . . . 0.0 105.385 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.98 131.26 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.112 0.965 . . . . 0.0 111.969 -169.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -75.85 97.49 3.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.489 1.116 . . . . 0.0 110.504 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -26.53 55.07 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -72.23 -7.11 47.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.108 1.763 . . . . 0.0 115.157 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -147.63 -21.33 0.37 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.7 84.57 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.038 1.304 . . . . 0.0 114.891 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -76.88 141.49 40.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.989 0.894 . . . . 0.0 111.249 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 143.65 27.76 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -71.33 116.27 11.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.008 0.923 . . . . 0.0 109.911 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -75.14 165.25 25.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.115 1.366 . . . . 0.0 114.015 -173.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.5 m -120.38 141.23 50.28 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.576 1.55 . . . . 0.0 111.396 169.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.89 -17.8 58.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.693 1.197 . . . . 0.0 113.202 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -141.35 147.65 38.42 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.827 1.651 . . . . 0.0 113.127 173.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.88 154.47 28.34 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.148 . . . . 0.0 110.427 168.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.35 -12.61 1.77 Allowed Glycine 0 CA--C 1.539 1.592 0 N-CA-C 116.461 1.345 . . . . 0.0 116.461 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.49 140.07 48.01 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.627 -1.514 . . . . 0.0 110.112 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.12 -37.24 5.4 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.108 1.363 . . . . 0.0 112.934 -174.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -55.28 -45.64 76.17 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.7 -47.45 78.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.599 -0.688 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.62 -39.55 84.72 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.657 -0.687 . . . . 0.0 112.152 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.88 -48.17 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.322 1.419 . . . . 0.0 111.64 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.9 mtm-85 -62.6 -33.51 75.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.899 0.88 . . . . 0.0 113.183 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.48 -39.29 38.79 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -60.16 -49.71 76.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.471 1.032 . . . . 0.0 110.219 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -69.91 -7.0 36.68 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.9 mt -95.85 -37.17 10.84 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 0.0 113.045 169.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -81.27 -23.24 38.08 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -121.79 -171.12 2.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.005 2.122 . . . . 0.0 110.617 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -53.58 148.48 9.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.933 1.693 . . . . 0.0 112.623 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -62.95 -22.88 67.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.853 -1.154 . . . . 0.0 114.019 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -79.79 4.22 17.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.52 153.47 42.17 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.719 1.145 . . . . 0.0 114.06 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -140.29 164.51 29.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.822 2.049 . . . . 0.0 111.411 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.69 -174.97 41.04 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -157.74 171.15 20.83 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.901 2.08 . . . . 0.0 112.347 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.1 m -92.66 126.15 37.62 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -151.1 147.29 26.89 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.922 2.089 . . . . 0.0 110.179 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.65 36.67 14.52 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 61.06 19.55 10.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.556 1.943 . . . . 0.0 114.893 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.02 161.91 34.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.737 1.615 . . . . 0.0 112.269 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.9 t -77.99 129.76 35.68 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.707 0.765 . . . . 0.0 111.012 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -118.96 112.2 19.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.401 2.28 . . . . 0.0 109.526 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.6 m -99.36 146.34 26.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.46 0.704 . . . . 0.0 111.359 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.56 151.34 35.08 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.378 1.071 . . . . 0.0 112.679 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.7 m80 64.05 24.65 13.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.911 1.684 . . . . 0.0 114.914 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.34 163.47 18.07 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.372 1.469 . . . . 0.0 112.256 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.19 1.76 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.153 1.781 . . . . 0.0 114.66 172.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.7 -16.19 36.86 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -75.2 -9.04 58.19 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.47 156.41 38.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.047 0.927 . . . . 0.0 113.448 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -157.81 156.47 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 111.591 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -86.08 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.184 0.994 . . . . 0.0 109.056 167.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -66.99 -31.57 4.03 Favored Pre-proline 0 CA--C 1.56 1.353 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -87.16 54.12 2.8 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 123.267 2.645 . . . . 0.0 113.726 -170.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.22 129.54 79.59 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.858 1.263 . . . . 0.0 111.519 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.28 -25.02 31.21 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.527 2.151 . . . . 0.0 114.113 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -79.69 -44.22 21.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -169.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -145.81 160.21 42.09 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.159 2.184 . . . . 0.0 110.457 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 125.064 1.346 . . . . 0.0 113.069 -171.494 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.2 tttt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -135.59 144.11 45.99 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.305 1.442 . . . . 0.0 111.335 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.32 179.49 43.09 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 116.861 1.504 . . . . 0.0 116.861 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -73.75 128.55 35.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.967 1.707 . . . . 0.0 112.891 -174.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -77.72 121.66 24.32 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.485 -0.759 . . . . 0.0 112.367 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.54 150.5 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.828 1.251 . . . . 0.0 112.265 -171.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.88 111.65 12.64 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.131 -0.981 . . . . 0.0 111.046 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -59.73 -27.97 66.95 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -81.49 -54.97 4.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.028 0.931 . . . . 0.0 112.473 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 p -112.0 -3.55 14.76 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.54 78.78 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.254 1.407 . . . . 0.0 116.458 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.5 m -63.73 140.88 58.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.22 1.51 . . . . 0.0 113.647 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -89.04 140.17 29.71 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.999 1.319 . . . . 0.0 111.058 168.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -97.26 97.86 9.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.367 0.667 . . . . 0.0 111.622 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -73.68 152.36 40.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.452 1.501 . . . . 0.0 113.288 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -147.99 147.58 29.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.643 1.577 . . . . 0.0 110.479 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.73 -48.27 5.01 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -87.86 111.07 21.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.844 0.858 . . . . 0.0 110.732 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.3 mt -77.78 149.86 34.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.32 2.248 . . . . 0.0 112.965 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.43 -25.37 0.59 Allowed Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.526 1.536 . . . . 0.0 114.854 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.52 148.3 49.66 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.725 1.61 . . . . 0.0 112.815 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -110.54 -10.65 14.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.964 1.306 . . . . 0.0 113.884 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.68 -32.69 59.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 114.9 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -96.27 -39.45 9.65 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.917 1.287 . . . . 0.0 113.377 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.17 -23.39 41.09 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -170.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.05 -44.36 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.521 1.51 . . . . 0.0 111.23 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -58.58 -49.58 76.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.622 0.769 . . . . 0.0 112.244 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -62.24 -43.66 98.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.99 0.814 . . . . 0.0 111.711 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.6 t -60.21 -45.78 92.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.596 1.158 . . . . 0.0 111.843 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.23 -21.77 45.74 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.0 mt -81.48 -38.36 26.47 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.603 1.161 . . . . 0.0 112.155 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -69.94 -43.49 71.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.942 0.792 . . . . 0.0 112.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -106.44 -83.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.042 0.937 . . . . 0.0 112.999 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -150.54 148.41 28.65 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.806 1.242 . . . . 0.0 110.852 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -63.41 -22.22 66.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 -167.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -87.97 6.92 33.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.137 1.375 . . . . 0.0 114.485 173.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.5 166.31 22.91 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.876 -1.14 . . . . 0.0 112.765 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -149.09 148.72 30.01 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.798 1.239 . . . . 0.0 111.25 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.48 171.76 40.06 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 119.544 1.066 . . . . 0.0 115.015 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -148.53 171.15 16.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.885 1.274 . . . . 0.0 112.719 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.5 t -86.99 124.06 32.77 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -146.56 131.58 18.23 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.32 1.448 . . . . 0.0 111.672 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.82 46.38 24.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.102 1.361 . . . . 0.0 112.763 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.471 1.908 . . . . 0.0 115.665 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.96 157.83 44.09 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.869 -1.144 . . . . 0.0 112.109 170.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 130.95 41.46 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.336 -0.852 . . . . 0.0 111.584 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -102.72 136.1 43.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.538 2.335 . . . . 0.0 108.453 170.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.2 t -129.31 144.39 51.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.816 1.246 . . . . 0.0 110.866 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.3 p -127.14 171.77 11.12 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.349 1.46 . . . . 0.0 114.093 -167.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 62.37 28.89 17.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.221 2.208 . . . . 0.0 114.011 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -72.97 138.99 46.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.665 1.186 . . . . 0.0 113.179 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.21 150.87 40.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 166.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.72 -15.7 59.19 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.624 -1.298 . . . . 0.0 113.509 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -78.24 -5.13 50.99 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.02 151.23 45.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.325 1.05 . . . . 0.0 112.78 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -97.28 123.5 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.114 0.966 . . . . 0.0 110.626 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.8 -40.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.567 1.547 . . . . 0.0 112.472 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -69.93 145.97 94.79 Favored Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 121.132 -0.98 . . . . 0.0 112.744 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.94 141.74 66.29 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.512 2.808 . . . . 0.0 115.411 -171.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.33 155.24 84.07 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.217 1.007 . . . . 0.0 111.694 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.44 -30.06 5.52 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.908 2.406 . . . . 0.0 113.683 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -97.4 -50.31 4.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.727 0.811 . . . . 0.0 111.108 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 52.34 24.42 2.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.545 3.138 . . . . 0.0 117.303 170.547 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 125.764 1.625 . . . . 0.0 110.269 176.818 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.3 tttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.92 169.07 18.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.952 0.901 . . . . 0.0 113.314 -167.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.15 160.13 23.02 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.64 147.21 52.22 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.006 1.322 . . . . 0.0 111.276 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -80.21 132.46 35.88 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.789 -1.194 . . . . 0.0 112.29 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.0 151.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.61 1.164 . . . . 0.0 111.875 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.19 155.56 34.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 122.579 1.181 . . . . 0.0 112.921 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -72.98 -30.59 63.94 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.848 -1.157 . . . . 0.0 111.249 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -85.79 -23.77 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -158.84 156.64 30.04 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.002 -1.061 . . . . 0.0 112.901 -173.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.03 10.36 20.37 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.942 1.258 . . . . 0.0 115.659 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.2 m -71.07 133.9 46.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.879 1.339 . . . . 0.0 113.689 -171.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.97 155.05 39.6 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.597 1.559 . . . . 0.0 113.298 172.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.64 101.76 9.4 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 110.013 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 p -77.64 143.74 37.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 113.114 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.5 m -98.51 149.75 22.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.671 1.188 . . . . 0.0 108.86 169.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.65 -26.11 62.41 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -143.58 152.35 41.3 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.591 1.956 . . . . 0.0 111.442 169.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.98 136.01 57.79 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 167.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.63 5.82 89.22 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -76.6 50.03 0.65 Allowed 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.439 2.12 . . . . 0.0 112.297 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -56.94 -37.39 71.47 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.957 1.303 . . . . 0.0 113.869 -166.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.27 59.19 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.397 1.479 . . . . 0.0 113.843 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -75.39 -46.84 30.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.779 1.232 . . . . 0.0 111.655 170.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -65.1 -37.25 86.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.163 -0.96 . . . . 0.0 112.528 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.36 -48.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.041 0.937 . . . . 0.0 110.773 173.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -57.45 -58.12 9.69 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.001 1.321 . . . . 0.0 112.096 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.07 -35.51 79.98 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -174.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.3 t -66.47 -47.38 73.28 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.364 0.983 . . . . 0.0 111.303 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.38 -21.78 61.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.6 mt -79.92 -35.3 38.06 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.495 170.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -78.93 -48.19 15.02 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -95.61 -75.1 0.53 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.368 1.067 . . . . 0.0 111.578 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -161.19 153.63 20.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.132 0.973 . . . . 0.0 112.3 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -58.67 -26.86 64.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -92.24 6.34 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 150.21 49.28 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.185 0.902 . . . . 0.0 112.969 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -121.59 179.22 4.53 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.129 1.772 . . . . 0.0 109.868 171.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.46 -178.94 48.34 Favored Glycine 0 CA--C 1.533 1.203 0 O-C-N 121.111 -0.993 . . . . 0.0 115.073 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -152.55 168.1 26.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.82 2.048 . . . . 0.0 112.589 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -101.87 121.23 41.71 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.254 1.022 . . . . 0.0 111.269 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -151.93 147.04 26.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.021 1.729 . . . . 0.0 109.856 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.21 40.23 25.57 Favored 'General case' 0 CA--C 1.551 1.009 0 O-C-N 121.002 -1.061 . . . . 0.0 112.52 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 57.49 8.72 0.66 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.878 2.871 . . . . 0.0 116.891 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.9 160.95 34.23 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.765 1.226 . . . . 0.0 113.404 -173.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.8 129.09 37.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -122.14 117.94 27.48 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.746 2.018 . . . . 0.0 109.787 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.1 m -80.29 149.5 30.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.009 1.324 . . . . 0.0 112.829 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.0 p -132.95 162.43 31.66 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.997 1.719 . . . . 0.0 112.566 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 58.76 30.44 20.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.966 1.706 . . . . 0.0 113.968 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.26 151.06 44.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.442 1.497 . . . . 0.0 114.077 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.28 154.6 37.73 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.147 0.975 . . . . 0.0 111.568 166.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -60.44 -16.75 39.17 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.817 -1.177 . . . . 0.0 113.184 174.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.09 -8.68 59.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.22 1.408 . . . . 0.0 114.146 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 151.26 46.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.646 1.179 . . . . 0.0 113.958 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.81 134.67 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.245 1.418 . . . . 0.0 112.225 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 -61.77 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.083 1.353 . . . . 0.0 113.456 -169.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -83.0 -30.34 0.48 Allowed Pre-proline 0 N--CA 1.48 1.055 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -70.47 16.68 0.25 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.444 3.429 . . . . 0.0 116.94 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.43 117.9 45.2 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 119.592 1.087 . . . . 0.0 109.552 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.04 -26.5 10.79 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 121.998 1.799 . . . . 0.0 114.786 -169.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -142.51 -32.5 0.49 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 117.589 2.44 . . . . 0.0 117.589 -166.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -66.25 105.54 1.44 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.452 1.024 . . . . 0.0 111.981 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 C-N-CA 126.301 1.84 . . . . 0.0 112.361 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.594 0.235 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.64 160.71 31.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.431 1.493 . . . . 0.0 110.607 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.2 173.1 39.98 Favored Glycine 0 N--CA 1.47 0.902 0 O-C-N 120.951 -1.093 . . . . 0.0 114.016 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -74.9 148.39 40.17 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -76.39 143.73 40.5 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 110.845 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.95 153.42 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.321 1.448 . . . . 0.0 111.484 -170.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.15 157.44 13.18 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.326 1.05 . . . . 0.0 112.661 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -93.44 -10.92 33.45 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.855 1.262 . . . . 0.0 114.156 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -111.88 -44.8 3.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.762 1.225 . . . . 0.0 113.446 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 p -107.37 163.08 13.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.512 1.125 . . . . 0.0 112.672 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.28 9.79 5.32 Favored Glycine 0 CA--C 1.54 1.632 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.0 m -78.36 123.05 26.56 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.063 1.432 . . . . 0.0 112.565 -174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -66.99 158.92 29.73 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.364 1.065 . . . . 0.0 111.88 168.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.42 112.38 12.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 110.74 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.8 p -81.64 145.73 30.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.823 0.849 . . . . 0.0 112.547 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.6 m -114.25 158.26 21.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.124 1.769 . . . . 0.0 111.205 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.27 -34.53 14.21 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -146.87 158.66 43.98 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.291 1.436 . . . . 0.0 112.948 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.41 155.45 37.4 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.69 -0.07 82.93 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.755 -1.216 . . . . 0.0 115.549 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -90.5 29.07 1.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.188 1.395 . . . . 0.0 111.17 167.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -52.8 -29.91 30.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.463 2.705 . . . . 0.0 115.867 -167.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.12 -20.46 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.819 1.19 . . . . 0.0 113.102 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -56.5 -52.49 64.54 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.37 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -72.77 -29.81 63.61 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.55 -52.72 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.989 0.813 . . . . 0.0 110.176 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 ttp-105 -61.78 -57.87 10.19 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 125.467 1.507 . . . . 0.0 113.109 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.47 -30.74 71.56 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.315 -0.865 . . . . 0.0 112.783 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -74.13 -44.53 53.41 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.765 0.711 . . . . 0.0 112.106 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -22.33 63.5 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -78.2 -18.98 54.75 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 169.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -90.97 -64.99 1.05 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.355 1.062 . . . . 0.0 113.608 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -93.42 -57.15 2.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -168.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -156.83 142.7 17.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.597 0.759 . . . . 0.0 111.447 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.63 -17.53 64.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 m -89.07 3.85 50.36 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.63 1.572 . . . . 0.0 113.906 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 164.09 14.24 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.66 -1.275 . . . . 0.0 112.974 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -152.62 152.72 32.13 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.61 1.164 . . . . 0.0 110.935 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.33 39.79 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 123.385 0.517 . . . . 0.0 114.305 -170.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -161.16 176.56 11.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.631 1.572 . . . . 0.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -98.06 141.14 31.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.185 0.994 . . . . 0.0 109.89 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -148.4 134.3 19.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.439 1.096 . . . . 0.0 109.769 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.22 55.14 6.6 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.209 1.004 . . . . 0.0 113.032 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 57.63 11.21 1.21 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.76 155.03 50.51 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.651 1.114 . . . . 0.0 112.816 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -69.71 158.64 35.0 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.283 1.433 . . . . 0.0 113.113 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -146.2 132.34 19.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.419 1.088 . . . . 0.0 112.565 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.9 m -109.4 145.29 36.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.477 2.311 . . . . 0.0 111.349 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.7 p -117.69 155.49 29.85 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 61.07 18.73 9.27 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.844 2.458 . . . . 0.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.47 148.19 33.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.485 1.514 . . . . 0.0 112.0 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 158.99 20.29 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.1 pm0 -56.11 -23.38 33.89 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.398 1.479 . . . . 0.0 113.261 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -79.2 -4.61 51.39 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.55 146.14 34.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.832 -1.168 . . . . 0.0 113.178 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.36 138.0 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.827 1.651 . . . . 0.0 109.832 170.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.68 -4.81 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -172.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -59.77 147.94 77.16 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.32 125.92 14.64 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.27 3.313 . . . . 0.0 114.317 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.54 138.23 40.91 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.646 1.978 . . . . 0.0 112.686 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.32 -22.1 60.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.553 2.169 . . . . 0.0 112.585 172.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.16 -68.45 0.17 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.485 1.914 . . . . 0.0 112.926 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -140.86 120.0 12.88 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.347 1.059 . . . . 0.0 111.87 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 . . . . . 0 N--CA 1.474 0.754 0 C-N-CA 125.522 1.529 . . . . 0.0 113.391 -178.089 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.7 tttt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.783 -0.081 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.23 168.25 19.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.759 1.623 . . . . 0.0 110.884 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.41 169.78 37.56 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.75 126.32 30.8 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.514 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 133.62 50.04 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.387 -0.821 . . . . 0.0 111.388 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.12 139.96 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.855 0.862 . . . . 0.0 110.979 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -70.9 124.56 24.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.019 0.927 . . . . 0.0 112.351 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -66.04 -24.19 66.69 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -83.59 -58.62 2.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.88 0.872 . . . . 0.0 111.88 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -92.09 -20.27 21.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.91 4.97 90.39 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.47 1.033 . . . . 0.0 114.663 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -85.23 158.58 20.3 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -66.34 156.49 34.32 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.83 1.652 . . . . 0.0 113.421 169.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.53 147.57 22.87 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.799 1.239 . . . . 0.0 111.389 171.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -74.8 167.55 21.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.929 0.891 . . . . 0.0 112.507 169.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.71 162.36 29.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.224 1.41 . . . . 0.0 112.977 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.22 178.37 3.92 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.937 1.295 . . . . 0.0 111.963 168.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -55.47 146.53 19.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.272 1.029 . . . . 0.0 110.79 169.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -51.06 143.83 9.94 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -167.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.84 -6.95 79.6 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 126.05 1.786 . . . . 0.0 115.726 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -62.45 135.89 57.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.092 1.446 . . . . 0.0 111.45 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.4 65.87 1.24 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.496 1.519 . . . . 0.0 110.876 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -134.85 -64.44 0.66 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.313 1.845 . . . . 0.0 112.311 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -91.47 -41.45 10.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.311 -0.868 . . . . 0.0 112.504 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.55 -35.91 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.058 0.943 . . . . 0.0 111.714 169.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.52 -45.14 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.955 0.902 . . . . 0.0 111.77 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -65.87 -53.38 40.4 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 111.242 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.63 -36.07 75.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.226 0.921 . . . . 0.0 112.871 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -63.6 -55.32 24.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.916 0.78 . . . . 0.0 111.348 170.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.03 -6.07 39.66 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 -26.57 15.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.899 1.68 . . . . 0.0 112.914 168.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.83 -40.97 24.02 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.284 1.033 . . . . 0.0 112.236 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.82 -171.57 2.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.822 2.049 . . . . 0.0 109.943 171.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.9 154.09 15.9 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.526 0.73 . . . . 0.0 112.514 166.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 pm0 -64.22 -17.06 63.2 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -65.1 -17.3 64.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.039 1.736 . . . . 0.0 115.277 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.57 175.9 3.84 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -150.75 -170.47 3.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.294 1.438 . . . . 0.0 110.835 172.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.59 179.24 43.26 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 119.998 1.272 . . . . 0.0 115.711 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -158.08 164.75 36.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.249 1.42 . . . . 0.0 113.499 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 98.3 m -87.52 136.34 32.98 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.0 1.32 . . . . 0.0 113.067 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -155.03 141.08 18.37 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.696 1.198 . . . . 0.0 110.676 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.17 33.72 18.62 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 59.07 27.4 16.34 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.53 1.932 . . . . 0.0 114.394 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -140.83 162.36 35.63 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.338 1.055 . . . . 0.0 113.11 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.4 t -92.71 132.9 36.53 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.219 1.007 . . . . 0.0 113.225 -169.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -117.38 125.16 50.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.01 1.724 . . . . 0.0 110.48 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.0 m -97.01 142.41 28.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.355 1.062 . . . . 0.0 112.45 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.8 p -127.55 166.55 17.79 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.234 1.414 . . . . 0.0 111.834 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.4 m80 60.98 39.84 16.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.039 1.736 . . . . 0.0 113.817 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -89.21 148.55 23.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.063 1.345 . . . . 0.0 111.061 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -62.08 145.44 53.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.251 0.548 . . . . 0.0 112.323 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.64 -26.85 65.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.39 -0.819 . . . . 0.0 112.708 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -76.43 1.08 17.42 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.8 159.94 24.99 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.553 1.141 . . . . 0.0 112.158 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -138.83 132.11 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.554 1.142 . . . . 0.0 109.246 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -117.95 -11.72 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -168.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -56.36 151.76 26.89 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.85 143.92 8.74 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 125.45 4.1 . . . . 0.0 115.366 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.51 116.54 41.27 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.954 0.902 . . . . 0.0 109.208 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -67.73 -22.08 44.03 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.101 1.867 . . . . 0.0 112.814 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -85.63 -52.94 5.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.76 1.224 . . . . 0.0 113.299 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -63.04 157.04 23.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.298 1.439 . . . . 0.0 113.131 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.985 0 C-N-CA 124.802 1.241 . . . . 0.0 112.797 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.9 tttt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.19 160.39 16.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.13 1.372 . . . . 0.0 110.516 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.39 34.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -63.4 149.77 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 0.0 111.813 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.37 92.42 5.81 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.918 0.887 . . . . 0.0 109.425 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -78.68 135.96 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -169.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -136.82 147.38 46.55 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.556 1.17 . . . . 0.0 112.885 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -88.59 -30.42 19.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.073 . . . . 0.0 112.576 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -82.39 -37.41 25.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.598 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -112.35 133.49 54.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.197 1.799 . . . . 0.0 111.564 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.62 -28.07 15.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.172 0.892 . . . . 0.0 113.107 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m -81.91 148.41 28.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.979 0.912 . . . . 0.0 112.181 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -53.47 136.89 37.27 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.912 1.685 . . . . 0.0 113.835 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -69.14 127.95 34.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.975 0.893 . . . . 0.0 111.351 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -78.0 152.98 32.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.981 1.712 . . . . 0.0 113.286 -170.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.65 147.78 47.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.146 1.378 . . . . 0.0 109.907 169.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.04 -31.9 21.73 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -167.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -150.71 136.77 18.41 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.74 0.816 . . . . 0.0 111.678 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.73 142.3 55.02 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.512 1.125 . . . . 0.0 110.434 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.55 -26.59 3.06 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.697 1.142 . . . . 0.0 115.322 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -80.29 69.07 6.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.408 1.604 . . . . 0.0 110.164 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -85.93 -14.31 45.13 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.25 -31.14 70.94 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -167.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -74.85 -35.69 62.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.066 1.303 . . . . 0.0 113.011 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.85 -38.23 84.84 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.953 -1.092 . . . . 0.0 111.688 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.53 -45.33 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.144 -0.973 . . . . 0.0 111.905 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -54.3 -52.41 61.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.266 1.026 . . . . 0.0 111.29 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.4 -44.63 95.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.82 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -61.73 -43.68 98.38 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.943 0.792 . . . . 0.0 111.264 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -81.09 -8.08 59.69 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.2 -27.17 13.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.723 0.809 . . . . 0.0 112.786 169.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -73.66 -48.96 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.563 1.545 . . . . 0.0 111.892 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.59 -167.29 1.42 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.551 1.54 . . . . 0.0 110.735 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.05 152.66 3.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 170.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -56.31 -18.46 10.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -99.78 7.89 44.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.704 1.202 . . . . 0.0 113.23 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.37 160.4 19.07 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -138.7 -179.1 5.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.098 1.359 . . . . 0.0 111.008 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.66 -177.2 48.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.229 -0.919 . . . . 0.0 115.362 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.71 163.03 40.84 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.415 1.486 . . . . 0.0 113.739 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -85.39 119.3 25.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 110.55 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -143.06 128.82 19.32 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 111.022 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.26 34.48 11.56 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.167 0.987 . . . . 0.0 112.934 -170.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.253 84.3 m-85 59.75 27.69 17.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.677 1.991 . . . . 0.0 115.396 -174.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.89 149.38 47.61 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.593 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.1 t -72.84 131.53 42.38 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.369 -0.832 . . . . 0.0 112.322 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -132.63 134.82 45.36 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.896 1.679 . . . . 0.0 110.183 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.6 m -96.45 148.33 22.91 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.995 0.902 . . . . 0.0 112.821 -170.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -143.81 166.08 25.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.803 1.641 . . . . 0.0 111.35 -172.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.4 m80 57.74 34.43 24.43 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.259 1.023 . . . . 0.0 112.998 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.92 156.36 18.5 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.202 1.801 . . . . 0.0 113.145 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.55 155.81 24.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.353 1.461 . . . . 0.0 113.212 168.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -66.24 -15.61 63.33 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.88 -1.138 . . . . 0.0 112.588 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -5.45 26.64 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 170.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.5 143.37 51.71 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.822 1.646 . . . . 0.0 111.969 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.14 148.94 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.107 1.763 . . . . 0.0 110.515 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.64 -38.69 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -65.49 -27.98 2.4 Favored Pre-proline 0 CA--C 1.554 1.116 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -64.02 14.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.685 3.59 . . . . 0.0 118.857 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.65 100.35 7.06 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.784 1.234 . . . . 0.0 110.812 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.4 -2.81 12.29 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.056 2.504 . . . . 0.0 112.653 168.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.45 -68.7 0.29 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.096 1.759 . . . . 0.0 115.312 -168.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -147.18 132.32 18.32 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 127.234 2.214 . . . . 0.0 111.609 170.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 tttm . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -127.38 164.16 22.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.559 1.143 . . . . 0.0 111.721 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.98 158.47 30.56 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 115.698 1.039 . . . . 0.0 115.698 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -79.01 142.43 36.6 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.829 -0.806 . . . . 0.0 112.071 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.0 14.22 0.56 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -171.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.5 p -49.62 132.42 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.041 1.336 . . . . 0.0 111.753 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -84.56 74.62 10.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.175 1.39 . . . . 0.0 109.45 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -40.93 -7.76 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 1 C-N-CA 132.011 4.124 . . . . 0.0 119.727 -168.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.76 -23.17 67.07 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.803 1.241 . . . . 0.0 110.361 164.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.2 p -141.04 173.96 10.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.212 2.605 . . . . 0.0 110.258 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.72 10.91 68.1 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.986 -1.072 . . . . 0.0 115.295 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.51 139.79 57.01 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.487 1.515 . . . . 0.0 114.776 -168.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -82.6 160.56 22.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.907 2.083 . . . . 0.0 114.459 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -129.1 83.33 2.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.201 1.4 . . . . 0.0 111.829 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -72.97 149.44 43.33 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.232 1.413 . . . . 0.0 113.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -139.51 112.09 7.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.236 2.215 . . . . 0.0 108.681 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.75 0.43 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -146.18 160.97 41.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.752 2.021 . . . . 0.0 110.193 -175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.4 mt -106.53 157.32 17.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.305 0.642 . . . . 0.0 110.075 168.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.26 -26.02 1.27 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.275 1.417 . . . . 0.0 116.465 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -76.88 66.2 2.71 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.548 1.674 . . . . 0.0 112.495 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -63.47 -21.15 66.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.559 1.544 . . . . 0.0 115.0 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -49.56 -47.92 48.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.935 1.694 . . . . 0.0 113.049 -170.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.29 -46.85 85.33 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.207 -0.933 . . . . 0.0 113.063 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.4 m -69.24 -30.6 68.77 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.68 -52.98 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.773 1.17 . . . . 0.0 110.027 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -57.36 -42.5 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.737 1.215 . . . . 0.0 113.318 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -77.16 -34.68 56.41 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.01 -41.32 74.47 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.705 1.139 . . . . 0.0 112.268 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -67.47 -5.17 13.72 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -106.04 -28.08 10.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.616 1.167 . . . . 0.0 113.149 171.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -67.47 -54.78 17.24 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.646 1.178 . . . . 0.0 111.386 168.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -100.05 -176.98 3.4 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.25 1.82 . . . . 0.0 109.449 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -56.0 155.96 5.83 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.885 1.274 . . . . 0.0 113.321 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -61.42 -18.95 61.23 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -170.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.7 m -80.35 -4.64 54.28 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.44 158.64 35.92 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.051 1.296 . . . . 0.0 113.485 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -141.19 162.81 34.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.079 1.752 . . . . 0.0 111.271 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.7 173.85 41.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 121.781 -0.575 . . . . 0.0 114.135 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -146.78 168.5 21.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.887 1.275 . . . . 0.0 113.567 -176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.1 m -82.52 60.63 5.25 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.733 1.213 . . . . 0.0 111.633 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.78 115.18 3.48 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.128 0.971 . . . . 0.0 110.531 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 46.96 52.87 11.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 121.948 0.88 . . . . 0.0 112.484 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 67.5 16.75 9.99 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.05 154.06 39.75 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.761 -1.212 . . . . 0.0 112.718 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -74.27 132.78 42.42 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -169.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -135.71 121.78 20.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.379 1.871 . . . . 0.0 110.597 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.6 m -81.98 150.17 27.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.644 1.578 . . . . 0.0 112.765 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -132.06 159.42 38.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.008 1.723 . . . . 0.0 111.933 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 65.06 14.48 9.39 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.37 162.63 29.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.183 1.393 . . . . 0.0 113.088 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.0 172.45 0.42 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 113.831 167.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.43 -14.81 54.39 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.616 -1.302 . . . . 0.0 113.524 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -85.0 18.49 2.47 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.94 27.46 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.617 -1.302 . . . . 0.0 113.338 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.27 131.06 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.03 1.332 . . . . 0.0 111.989 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 m -97.83 171.39 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.012 1.325 . . . . 0.0 112.867 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -70.09 -28.4 1.39 Allowed Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 -169.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -72.58 119.72 6.28 Favored 'Trans proline' 0 C--N 1.353 0.764 0 CA-C-N 123.485 2.28 . . . . 0.0 111.107 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.2 133.27 22.21 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.153 0.981 . . . . 0.0 109.781 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.28 -23.69 38.45 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.65 2.233 . . . . 0.0 114.035 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -138.28 -45.26 0.51 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.753 1.221 . . . . 0.0 113.003 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.46 135.38 57.64 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 120.038 1.29 . . . . 0.0 112.494 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 125.868 1.667 . . . . 0.0 112.193 -177.712 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.386 0.136 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.53 154.41 21.78 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.75 0.82 . . . . 0.0 111.003 168.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.85 141.11 11.3 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -80.91 107.37 13.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.146 2.178 . . . . 0.0 110.987 175.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.7 tp -78.07 110.33 12.93 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.763 -0.586 . . . . 0.0 112.1 -175.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.09 138.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.952 1.301 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.67 84.16 1.6 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 168.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -54.88 -2.84 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 118.972 2.952 . . . . 0.0 118.972 -167.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -70.59 -15.4 62.75 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.841 0.856 . . . . 0.0 111.043 163.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -134.63 154.42 51.52 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 129.871 3.269 . . . . 0.0 110.038 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.65 -20.42 56.26 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.76 107.98 14.03 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 118.909 1.354 . . . . 0.0 112.296 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 164.35 10.24 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.101 1.761 . . . . 0.0 114.664 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -66.82 117.46 8.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.556 1.142 . . . . 0.0 112.728 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -79.28 156.82 27.91 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.448 1.499 . . . . 0.0 113.193 176.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -130.14 146.13 51.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.914 1.686 . . . . 0.0 110.042 169.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.6 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.445 -0.785 . . . . 0.0 111.979 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.96 152.55 29.25 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.368 1.867 . . . . 0.0 111.293 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -86.67 153.59 21.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.273 1.029 . . . . 0.0 112.235 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.11 -26.77 1.47 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.67 1.129 . . . . 0.0 115.423 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.6 144.99 35.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.509 1.124 . . . . 0.0 112.25 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -137.41 -21.04 1.18 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -170.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.18 -47.08 75.72 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 121.934 2.152 . . . . 0.0 113.433 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -67.9 -49.01 64.36 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.705 1.602 . . . . 0.0 112.396 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.2 t -64.35 -40.22 95.42 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.494 -0.754 . . . . 0.0 112.488 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.74 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.68 1.192 . . . . 0.0 111.009 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.81 -51.08 71.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.919 1.287 . . . . 0.0 112.421 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.37 -33.77 73.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.604 -0.685 . . . . 0.0 112.602 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.74 -49.19 66.79 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.151 0.887 . . . . 0.0 111.652 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -70.01 -15.03 62.96 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.74 -17.81 29.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 113.105 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -85.28 -44.49 12.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.357 1.063 . . . . 0.0 112.161 171.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.44 -151.31 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.296 1.839 . . . . 0.0 110.543 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.73 157.71 28.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.745 2.018 . . . . 0.0 112.644 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -62.92 -22.28 66.65 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.2 p -80.12 4.19 18.1 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.98 161.68 28.41 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 120.361 -1.462 . . . . 0.0 114.101 172.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -146.83 171.26 15.46 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.633 1.973 . . . . 0.0 110.378 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.8 176.03 45.48 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.864 1.221 . . . . 0.0 113.928 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -151.63 167.56 27.75 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 118.246 1.023 . . . . 0.0 113.718 172.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.56 118.45 20.7 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.94 0.896 . . . . 0.0 112.962 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -140.16 133.59 30.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.019 2.528 . . . . 0.0 110.235 -174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.98 24.06 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.947 1.299 . . . . 0.0 113.402 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 55.7 30.9 16.38 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.133 2.173 . . . . 0.0 114.603 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.09 160.29 40.67 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.271 1.828 . . . . 0.0 110.459 173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.46 149.56 45.75 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.632 -1.292 . . . . 0.0 111.688 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -142.67 112.23 6.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.679 1.592 . . . . 0.0 109.484 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.8 m -75.65 148.06 39.0 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.738 0.815 . . . . 0.0 111.33 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -129.94 154.7 47.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.957 0.903 . . . . 0.0 112.477 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.9 m80 64.63 18.5 11.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.4 mt -75.12 168.27 20.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.897 1.279 . . . . 0.0 113.473 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.75 167.29 17.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.747 1.219 . . . . 0.0 114.223 169.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -60.93 -17.87 53.57 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.735 1.214 . . . . 0.0 113.388 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -80.88 1.35 31.21 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 143.61 57.8 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.602 -1.311 . . . . 0.0 113.6 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.7 t -75.98 147.27 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.389 1.476 . . . . 0.0 110.93 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.47 -171.86 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.433 1.093 . . . . 0.0 112.905 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 14.3 m-90 -37.16 142.82 0.37 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 128.723 2.809 . . . . 0.0 116.114 -171.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo 31.07 91.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.993 1 C-N-CA 127.06 5.173 . . . . 0.0 117.049 177.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.3 117.09 14.67 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.653 1.581 . . . . 0.0 112.274 -171.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.54 -13.01 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.99 2.46 . . . . 0.0 113.555 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -77.08 -36.52 55.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.158 1.383 . . . . 0.0 113.71 -174.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -151.55 129.97 12.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.601 1.561 . . . . 0.0 109.826 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 . . . . . 0 N--CA 1.475 0.821 0 C-N-CA 124.654 1.181 . . . . 0.0 110.741 178.255 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 tttt . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 119.931 -0.08 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.17 161.51 13.56 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.431 1.092 . . . . 0.0 113.592 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.64 162.58 28.93 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 172.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -71.43 134.96 46.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.158 1.383 . . . . 0.0 113.326 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.0 tp -82.72 128.28 34.22 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.121 -0.987 . . . . 0.0 111.476 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -148.49 133.21 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.311 1.044 . . . . 0.0 111.525 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -76.4 117.75 18.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.366 1.066 . . . . 0.0 110.83 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -70.47 -24.83 62.94 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -104.0 -29.93 10.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.947 0.899 . . . . 0.0 113.323 -170.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -145.75 61.66 1.26 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.618 1.967 . . . . 0.0 109.58 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.09 35.81 0.19 Allowed Glycine 0 N--CA 1.47 0.945 0 C-N-CA 129.516 3.436 . . . . 0.0 119.348 -167.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m -67.29 134.63 51.95 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.946 0.873 . . . . 0.0 108.927 169.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -56.44 140.28 46.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.85 1.66 . . . . 0.0 114.623 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -88.76 67.09 8.25 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 0.0 111.939 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -71.92 151.25 43.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.481 1.113 . . . . 0.0 113.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -117.75 145.74 44.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.347 1.859 . . . . 0.0 110.215 168.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.52 -29.0 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -133.8 154.75 50.78 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.799 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.87 61.49 1.46 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.716 1.606 . . . . 0.0 110.827 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.54 9.23 0.02 OUTLIER Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.683 1.135 . . . . 0.0 115.567 -169.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -86.0 28.87 0.77 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.013 1.906 . . . . 0.0 113.209 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -53.26 -29.36 32.41 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.846 2.058 . . . . 0.0 116.322 -168.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.39 -48.83 55.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.584 1.538 . . . . 0.0 113.221 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.95 -40.91 91.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.707 -0.621 . . . . 0.0 112.088 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.4 m -62.58 -38.9 91.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.308 0.504 . . . . 0.0 112.176 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.04 -45.9 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.033 0.933 . . . . 0.0 110.663 174.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -64.2 -29.53 70.63 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.107 1.363 . . . . 0.0 113.856 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.44 -54.9 6.28 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.295 -0.878 . . . . 0.0 110.626 167.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.2 t -59.72 -42.02 92.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.499 1.12 . . . . 0.0 113.009 -170.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.89 -14.67 61.93 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.0 mt -107.97 -34.0 7.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.33 1.052 . . . . 0.0 112.62 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -65.19 -20.76 66.6 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 171.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -123.6 -89.07 0.6 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.858 1.663 . . . . 0.0 110.143 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -161.06 151.29 17.66 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 128.262 2.625 . . . . 0.0 109.119 -172.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -62.84 -21.12 65.71 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 m -73.93 -5.1 39.13 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.77 164.25 26.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.882 1.219 . . . . 0.0 113.719 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -147.68 -174.2 4.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.357 1.463 . . . . 0.0 110.699 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.28 176.3 40.96 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 120.756 1.616 . . . . 0.0 116.512 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -154.19 171.92 18.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.857 1.663 . . . . 0.0 113.241 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -87.12 69.33 10.13 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 113.463 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.5 111.55 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.877 -1.139 . . . . 0.0 111.459 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.89 57.72 4.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.393 1.477 . . . . 0.0 112.908 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 64.56 15.85 9.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.954 2.102 . . . . 0.0 116.39 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 145.64 51.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.619 1.099 . . . . 0.0 112.356 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.12 131.7 46.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.285 -0.884 . . . . 0.0 112.441 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -132.81 124.38 27.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.661 2.384 . . . . 0.0 109.15 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -85.46 149.74 25.19 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.577 1.151 . . . . 0.0 112.201 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.74 167.0 17.9 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.072 1.749 . . . . 0.0 109.866 169.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.1 m80 65.05 25.73 12.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.299 1.04 . . . . 0.0 113.713 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -78.9 158.92 27.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.758 1.223 . . . . 0.0 112.354 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.21 155.26 17.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.477 1.511 . . . . 0.0 113.04 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -33.59 74.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.732 -1.23 . . . . 0.0 113.179 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -82.39 11.86 5.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.912 1.685 . . . . 0.0 114.441 174.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 129.42 41.93 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.486 1.494 . . . . 0.0 113.661 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.92 113.57 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.225 1.41 . . . . 0.0 111.369 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.0 -16.3 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.696 1.199 . . . . 0.0 114.137 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -74.07 132.75 79.3 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.856 0.862 . . . . 0.0 111.873 -173.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.91 137.96 22.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.227 2.618 . . . . 0.0 115.359 -168.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.04 163.51 55.03 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 111.756 171.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.56 -25.4 34.85 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.424 2.083 . . . . 0.0 113.18 170.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.24 -26.81 64.02 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.297 0.0 OUTLIER -65.04 7.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? . . . . . 0 N--CA 1.475 0.812 0 C-N-CA 125.988 1.715 . . . . 0.0 109.944 169.264 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.8 tttt . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -97.41 152.07 19.32 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.668 1.187 . . . . 0.0 110.411 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.65 24.26 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 117.491 1.756 . . . . 0.0 117.491 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.55 128.18 33.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.842 1.657 . . . . 0.0 110.268 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.5 tp -71.25 137.38 48.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -140.76 167.0 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.157 1.783 . . . . 0.0 111.941 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -97.98 137.75 36.33 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.334 1.454 . . . . 0.0 108.991 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -66.69 -22.24 66.08 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 120.971 -1.081 . . . . 0.0 112.425 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.23 -29.86 38.5 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.5 t -159.47 140.55 12.67 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.129 0.877 . . . . 0.0 112.913 -173.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.81 16.03 2.76 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 117.045 1.578 . . . . 0.0 117.045 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.03 132.99 45.01 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.515 1.658 . . . . 0.0 112.512 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 138.75 41.16 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -171.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -80.96 82.48 6.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.51 1.124 . . . . 0.0 111.13 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.3 p -70.1 153.23 43.42 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.891 0.876 . . . . 0.0 111.562 169.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -111.4 147.75 34.53 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.12 1.768 . . . . 0.0 109.861 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -43.19 70.18 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.436 -0.79 . . . . 0.0 112.962 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -141.65 151.75 43.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.895 1.678 . . . . 0.0 111.558 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.83 157.45 38.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.467 0.707 . . . . 0.0 111.131 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.64 -32.43 0.71 Allowed Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.328 1.442 . . . . 0.0 114.91 -176.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -76.16 66.34 2.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.421 1.888 . . . . 0.0 111.554 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -84.85 0.69 50.04 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.94 -47.12 87.09 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.444 1.475 . . . . 0.0 112.977 -171.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.89 -43.02 99.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.923 0.889 . . . . 0.0 112.379 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.77 -46.42 84.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.91 0.884 . . . . 0.0 112.336 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.79 -46.45 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.9 0.773 . . . . 0.0 111.219 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -61.71 -51.06 69.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.135 0.974 . . . . 0.0 112.143 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -26.75 67.66 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.782 -1.199 . . . . 0.0 113.594 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.47 -41.69 23.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -67.24 -31.75 72.31 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.391 -0.818 . . . . 0.0 112.169 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.66 -19.89 61.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -81.85 -66.85 0.84 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.269 1.028 . . . . 0.0 112.5 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -90.74 -67.16 0.87 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -157.88 148.71 20.98 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.54 1.536 . . . . 0.0 109.998 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.49 -25.16 66.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 m -74.66 -3.54 31.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 151.94 46.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.869 1.668 . . . . 0.0 113.378 -172.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -139.48 159.8 41.33 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.509 1.524 . . . . 0.0 111.033 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.03 174.46 43.55 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.842 1.211 . . . . 0.0 112.693 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -146.6 164.28 33.13 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 113.124 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.6 52.12 2.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.083 1.353 . . . . 0.0 113.257 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -53.08 120.63 6.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.658 1.183 . . . . 0.0 110.678 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.62 39.35 21.27 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.993 0.917 . . . . 0.0 113.429 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 65.62 22.52 11.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.427 1.891 . . . . 0.0 114.957 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.67 149.29 49.24 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.947 -1.095 . . . . 0.0 113.382 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -72.66 121.5 19.89 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -127.23 120.99 29.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.871 2.068 . . . . 0.0 108.983 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 55.9 m -109.97 156.28 20.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.464 1.106 . . . . 0.0 113.475 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -117.69 161.29 19.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.104 1.362 . . . . 0.0 113.78 -168.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 56.0 25.13 8.44 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.102 1.361 . . . . 0.0 114.558 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.22 151.46 44.29 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.07 1.748 . . . . 0.0 112.129 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -70.23 158.5 35.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.6 0.76 . . . . 0.0 112.146 169.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.08 -29.02 65.12 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.925 0.89 . . . . 0.0 112.785 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -80.41 11.76 3.44 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.83 143.39 55.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.715 -1.241 . . . . 0.0 112.918 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.4 132.68 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.838 0.855 . . . . 0.0 112.456 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -157.31 95.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.072 1.749 . . . . 0.0 108.857 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.392 25.5 m-90 51.12 -143.82 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.441 1.496 . . . . 0.0 113.697 -167.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER 34.21 45.61 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 124.335 3.356 . . . . 0.0 116.573 -165.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.25 142.64 84.87 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.351 1.06 . . . . 0.0 113.694 -169.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.71 -12.28 26.53 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.285 2.657 . . . . 0.0 111.781 167.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -104.36 -116.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.712 2.005 . . . . 0.0 112.611 -169.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -110.65 141.24 44.15 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 118.238 2.681 . . . . 0.0 118.238 -165.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 127.08 2.152 . . . . 0.0 107.591 166.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.7 tttt . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 119.895 -0.098 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -121.05 153.04 37.92 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.782 1.233 . . . . 0.0 113.013 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.79 163.88 27.31 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 121.459 -0.776 . . . . 0.0 113.616 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -70.91 148.71 47.47 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.097 -1.237 . . . . 0.0 113.568 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.9 tp -76.92 129.27 35.94 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.502 1.121 . . . . 0.0 111.73 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.42 137.63 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.986 0.898 . . . . 0.0 113.146 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -101.52 130.78 47.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.303 1.441 . . . . 0.0 108.494 168.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -69.8 -25.41 63.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -74.99 -28.84 60.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -89.78 151.38 21.84 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.082 -1.011 . . . . 0.0 111.493 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -21.74 64.99 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-O 117.633 -1.648 . . . . 0.0 116.389 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -141.79 159.29 42.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.97 1.885 . . . . 0.0 113.168 -170.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.36 166.9 5.84 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.268 2.227 . . . . 0.0 115.12 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -74.3 120.27 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.393 1.477 . . . . 0.0 113.178 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.7 p -75.55 161.65 28.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.298 1.039 . . . . 0.0 113.161 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -157.19 172.67 18.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.786 1.234 . . . . 0.0 111.878 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.68 -121.28 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.264 1.026 . . . . 0.0 113.341 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -75.44 144.03 42.35 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.652 -1.28 . . . . 0.0 112.828 -171.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.12 136.14 56.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.094 -1.004 . . . . 0.0 111.77 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.09 -15.16 58.77 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.43 1.491 . . . . 0.0 115.023 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -66.49 127.99 34.48 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.711 1.756 . . . . 0.0 109.311 169.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -135.97 -18.0 1.61 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 -168.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.24 -34.19 71.91 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 122.052 2.206 . . . . 0.0 114.374 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -71.31 -55.28 8.35 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.03 -1.043 . . . . 0.0 110.954 170.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.2 m -60.39 -39.78 88.53 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.69 -51.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.154 0.982 . . . . 0.0 110.556 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -66.65 -45.24 79.65 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.109 0.964 . . . . 0.0 111.611 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.34 -39.64 95.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.086 0.857 . . . . 0.0 112.892 173.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.21 -46.73 82.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.704 1.138 . . . . 0.0 111.758 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -77.17 -6.23 52.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -101.08 -23.82 14.41 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.42 1.088 . . . . 0.0 112.81 169.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -76.22 -47.08 25.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.523 1.129 . . . . 0.0 111.612 171.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.48 -168.8 1.5 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.142 1.777 . . . . 0.0 110.164 174.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.63 144.56 13.61 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.98 -14.91 61.52 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 m -69.83 -9.78 56.0 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 160.25 16.9 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -147.61 -174.41 4.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.558 1.943 . . . . 0.0 110.075 171.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.7 -168.05 39.95 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 120.199 -1.563 . . . . 0.0 116.673 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -159.42 169.5 23.8 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.222 1.809 . . . . 0.0 112.177 172.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.01 138.21 32.14 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.222 -0.924 . . . . 0.0 111.347 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -151.98 133.24 14.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.531 1.132 . . . . 0.0 110.09 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.77 45.51 11.4 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.495 1.118 . . . . 0.0 113.67 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.64 22.21 12.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.88 27.29 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.98 -1.075 . . . . 0.0 112.539 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.7 127.39 32.23 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.696 -0.628 . . . . 0.0 112.306 -172.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -110.35 107.71 17.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.101 1.76 . . . . 0.0 109.062 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.4 m -73.65 151.78 40.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.348 1.059 . . . . 0.0 111.097 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -134.24 163.53 29.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.162 1.385 . . . . 0.0 111.021 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.9 m80 61.97 20.54 11.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.952 1.301 . . . . 0.0 113.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.35 158.58 35.69 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.107 1.363 . . . . 0.0 112.409 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.15 160.76 4.68 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.557 1.543 . . . . 0.0 114.207 172.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -58.54 -21.3 52.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.241 1.416 . . . . 0.0 113.184 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -77.2 -5.47 49.33 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.51 143.99 55.88 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.053 0.842 . . . . 0.0 111.853 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.17 140.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 126.254 1.822 . . . . 0.0 110.534 -172.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -108.3 -1.2 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.727 1.211 . . . . 0.0 114.258 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -67.96 141.76 94.75 Favored Pre-proline 0 CA--C 1.554 1.111 0 O-C-N 120.774 -1.204 . . . . 0.0 110.381 167.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -60.65 150.71 80.7 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.564 2.842 . . . . 0.0 114.509 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 141.56 92.13 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.806 1.242 . . . . 0.0 112.686 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -72.46 -16.61 27.41 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.028 2.486 . . . . 0.0 113.175 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -69.17 -67.9 0.44 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.886 1.674 . . . . 0.0 113.269 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.42 149.95 49.85 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.668 1.187 . . . . 0.0 112.892 -174.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? . . . . . 0 N--CA 1.479 1.006 0 C-N-CA 125.031 1.332 . . . . 0.0 111.687 173.43 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -120.76 141.33 50.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.324 1.05 . . . . 0.0 111.81 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.91 171.93 44.9 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 116.301 1.28 . . . . 0.0 116.301 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.72 131.16 45.37 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.235 2.214 . . . . 0.0 112.855 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tp -78.86 120.02 22.89 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.266 -0.896 . . . . 0.0 111.417 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 p -134.74 147.73 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.331 1.053 . . . . 0.0 111.596 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.18 117.47 7.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.41 1.084 . . . . 0.0 112.214 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -57.95 -25.62 61.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 114.038 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -88.36 -41.76 12.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.416 1.086 . . . . 0.0 113.217 -171.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.7 p -140.73 -1.95 1.4 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.93 10.16 79.31 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.137 1.615 . . . . 0.0 117.137 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -58.25 141.21 51.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.502 1.651 . . . . 0.0 113.069 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -81.89 156.68 24.68 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -108.19 99.75 9.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.24 1.016 . . . . 0.0 111.768 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -74.3 162.79 28.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.074 0.95 . . . . 0.0 113.063 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.2 t -156.56 163.59 39.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.396 1.878 . . . . 0.0 111.512 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 179.38 0.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.406 1.882 . . . . 0.0 114.642 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.1 157.03 2.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.697 1.599 . . . . 0.0 111.822 169.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.1 mt -50.28 160.52 0.37 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.959 2.104 . . . . 0.0 114.93 -171.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.24 -38.04 2.01 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 126.236 1.874 . . . . 0.0 115.912 174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -72.83 72.27 1.07 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.479 1.912 . . . . 0.0 111.72 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -90.06 -15.31 32.02 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -168.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -25.05 67.48 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -166.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -69.39 -45.33 69.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.842 0.746 . . . . 0.0 111.005 170.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.0 t -68.42 -33.29 73.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.001 0.92 . . . . 0.0 112.951 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.94 -46.98 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.176 1.353 . . . . 0.0 110.682 170.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -64.07 -45.87 86.82 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.863 0.865 . . . . 0.0 112.158 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.07 -41.81 98.55 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.566 1.076 . . . . 0.0 112.969 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.39 -48.16 80.95 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 111.312 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -80.09 -3.03 47.02 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -103.51 -30.83 10.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.873 1.269 . . . . 0.0 112.587 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -71.33 -51.11 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.272 1.829 . . . . 0.0 110.061 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -103.7 -172.27 2.08 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.814 1.246 . . . . 0.0 109.246 167.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.67 156.24 27.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.696 1.199 . . . . 0.0 114.145 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -54.27 -28.9 44.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -83.11 0.3 45.72 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.21 160.57 31.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.892 0.877 . . . . 0.0 111.946 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -149.46 157.2 43.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.395 1.078 . . . . 0.0 111.902 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.95 -178.37 35.79 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 -171.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -159.17 171.38 20.02 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.382 2.273 . . . . 0.0 111.089 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.75 147.26 27.89 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.131 -0.981 . . . . 0.0 113.269 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -148.31 134.19 19.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.051 1.341 . . . . 0.0 108.852 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.31 39.21 11.82 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.828 1.251 . . . . 0.0 114.018 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.252 77.5 m-85 64.58 24.79 13.09 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.406 1.882 . . . . 0.0 115.513 -177.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.72 151.86 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.431 1.092 . . . . 0.0 113.184 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.37 136.89 38.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.608 1.163 . . . . 0.0 113.291 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -121.8 136.32 54.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.934 2.494 . . . . 0.0 108.957 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -132.05 147.36 52.44 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.509 1.124 . . . . 0.0 111.434 -168.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 p -133.46 163.8 28.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.876 1.67 . . . . 0.0 112.791 -167.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 63.63 25.71 14.38 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.037 1.735 . . . . 0.0 112.629 -168.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.37 138.86 49.52 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.367 1.467 . . . . 0.0 111.304 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.11 25.06 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.56 1.171 . . . . 0.0 113.23 169.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 pm0 -61.51 -18.87 61.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.402 1.081 . . . . 0.0 113.655 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -81.6 5.64 17.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.061 1.345 . . . . 0.0 113.98 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.66 172.43 8.67 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.839 -1.163 . . . . 0.0 113.323 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -140.74 148.97 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.943 1.697 . . . . 0.0 110.619 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.42 156.01 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.022 1.729 . . . . 0.0 110.844 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.0 m95 58.43 177.36 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.343 0 C-N-CA 125.622 1.569 . . . . 0.0 113.146 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -57.66 143.76 94.33 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.71 2.273 . . . . 0.0 113.988 -173.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.7 122.71 69.04 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.265 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.73 -20.28 30.45 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.806 2.338 . . . . 0.0 113.199 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -52.19 -46.82 65.72 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 113.61 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -137.72 172.06 13.52 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.294 2.238 . . . . 0.0 110.708 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.626 1.17 . . . . 0.0 112.099 173.623 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.7 tttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.084 0.469 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.98 164.85 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.124 2.17 . . . . 0.0 111.464 -173.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.63 155.16 26.25 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.552 0.596 . . . . 0.0 113.333 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -79.46 158.31 27.32 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.037 -1.272 . . . . 0.0 111.2 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -71.89 47.96 0.15 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.101 0.96 . . . . 0.0 112.172 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -75.24 102.22 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.204 -1.56 . . . . 0.0 113.83 -169.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.82 100.72 11.73 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.921 1.289 . . . . 0.0 107.874 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -70.4 -1.07 9.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.395 1.478 . . . . 0.0 114.558 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -65.72 -21.63 66.54 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.806 1.242 . . . . 0.0 112.73 172.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -154.51 156.62 37.0 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.81 3.19 57.16 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.85 151.28 39.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.359 1.579 . . . . 0.0 113.193 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.26 152.04 24.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 110.843 168.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -117.1 75.48 0.98 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 123.27 1.509 . . . . 0.0 111.93 -169.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.2 p -68.27 157.14 36.21 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.946 2.098 . . . . 0.0 113.466 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 p -161.64 -174.01 4.02 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.467 1.507 . . . . 0.0 112.602 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.92 -176.16 1.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.628 1.971 . . . . 0.0 116.301 -169.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.07 157.6 9.96 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.891 1.276 . . . . 0.0 113.023 169.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.79 140.37 42.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.173 0.989 . . . . 0.0 112.254 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.98 -32.14 1.75 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.29 1.424 . . . . 0.0 114.853 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.73 33.43 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.936 -1.332 . . . . 0.0 112.286 171.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.34 30.63 7.06 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -166.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -55.67 -29.43 59.31 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -55.94 -43.69 77.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.759 0.823 . . . . 0.0 112.134 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.23 -35.91 80.55 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.142 -0.974 . . . . 0.0 111.63 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -66.2 -38.68 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.571 1.078 . . . . 0.0 111.326 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -69.84 -39.4 76.46 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.358 1.063 . . . . 0.0 113.809 173.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.68 -34.01 30.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 117.765 -1.112 . . . . 0.0 113.496 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.2 m -64.13 -38.29 90.53 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 121.092 1.769 . . . . 0.0 111.236 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -71.72 -4.81 29.61 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.19 -34.93 6.7 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.266 1.426 . . . . 0.0 112.548 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -68.94 -30.07 68.44 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.981 2.512 . . . . 0.0 112.786 175.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -122.82 -173.09 2.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.0 2.92 . . . . 0.0 108.151 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.47 155.16 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 169.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -56.3 -15.74 4.42 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.333 1.453 . . . . 0.0 114.774 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -75.71 -16.6 60.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.556 1.542 . . . . 0.0 114.69 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 164.47 16.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -169.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -125.17 169.36 12.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.593 2.757 . . . . 0.0 110.021 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.93 167.77 38.24 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 169.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -157.32 171.22 20.79 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.199 0.999 . . . . 0.0 113.448 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.3 m -84.43 59.4 5.4 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.192 0.997 . . . . 0.0 113.427 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -63.04 115.68 4.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.909 0.883 . . . . 0.0 109.999 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.9 49.24 17.14 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 63.47 27.37 15.12 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.9 149.45 32.26 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.823 -1.173 . . . . 0.0 113.134 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.48 111.48 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.926 0.869 . . . . 0.0 113.112 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -110.41 114.63 28.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.281 2.232 . . . . 0.0 108.898 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 m -87.47 141.94 28.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.51 1.124 . . . . 0.0 111.032 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -131.39 164.99 24.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.885 1.274 . . . . 0.0 112.26 -169.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m80 59.86 48.96 8.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.614 1.565 . . . . 0.0 112.457 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.7 mt -105.68 163.04 13.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.978 1.311 . . . . 0.0 113.69 -170.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.64 158.74 11.94 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 169.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.26 -23.75 38.35 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.199 0.999 . . . . 0.0 113.507 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -73.34 -3.12 25.17 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.74 159.48 16.26 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.01 152.47 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.761 1.624 . . . . 0.0 112.165 -175.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.96 160.21 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.592 1.557 . . . . 0.0 114.017 -170.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.257 4.7 m0 57.99 163.53 0.08 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 130.232 3.413 . . . . 0.0 118.175 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -57.74 144.35 93.43 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.925 3.083 . . . . 0.0 113.023 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.28 122.19 41.78 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 123.224 0.609 . . . . 0.0 112.305 -168.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.56 -20.33 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.24 1.96 . . . . 0.0 113.464 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -81.75 -26.8 34.2 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -170.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -115.7 155.04 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.285 1.834 . . . . 0.0 112.07 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 C-N-CA 125.501 1.521 . . . . 0.0 110.687 169.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.5 tttt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.98 154.28 21.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.176 0.898 . . . . 0.0 109.466 168.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.13 165.17 30.7 Favored Glycine 0 N--CA 1.469 0.881 0 N-CA-C 117.367 1.707 . . . . 0.0 117.367 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -82.64 172.98 12.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.452 1.501 . . . . 0.0 112.515 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -139.17 107.63 5.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.523 1.129 . . . . 0.0 110.227 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.53 147.57 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.696 1.198 . . . . 0.0 112.118 -172.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -65.0 144.78 57.07 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.072 1.349 . . . . 0.0 111.916 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -81.39 -26.45 35.44 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.388 -1.445 . . . . 0.0 113.14 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.34 -21.88 26.99 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -156.06 165.25 36.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.171 1.788 . . . . 0.0 109.909 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.11 12.05 3.39 Favored Glycine 0 CA--C 1.542 1.754 0 O-C-N 120.638 -1.288 . . . . 0.0 116.162 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.66 129.17 37.24 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.134 1.467 . . . . 0.0 114.742 -170.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 144.59 30.28 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.652 1.581 . . . . 0.0 111.118 169.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.92 116.71 16.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.805 -0.56 . . . . 0.0 111.742 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -76.23 167.92 20.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.483 0.713 . . . . 0.0 112.611 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 t -144.96 138.15 26.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.952 2.101 . . . . 0.0 110.903 177.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.58 -27.08 20.47 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -143.14 132.67 23.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.539 1.536 . . . . 0.0 112.504 176.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.5 mt -75.02 165.63 24.95 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.094 0.958 . . . . 0.0 111.498 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.54 -42.61 2.64 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.662 1.125 . . . . 0.0 114.148 175.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 84.77 1.27 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.037 1.335 . . . . 0.0 110.029 169.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -70.2 -18.53 63.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.375 -1.453 . . . . 0.0 114.386 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -55.11 -39.08 68.96 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -56.67 -51.12 69.97 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.695 0.68 . . . . 0.0 111.677 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.45 -24.79 50.25 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.258 -0.877 . . . . 0.0 113.366 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.7 t -60.8 -47.74 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.06 1.3 . . . . 0.0 110.381 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -58.01 -49.87 75.37 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.925 0.89 . . . . 0.0 112.454 175.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -67.86 -32.2 72.55 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.259 -0.901 . . . . 0.0 112.703 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 t -73.49 -44.74 57.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 120.336 1.426 . . . . 0.0 112.414 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -63.95 -21.66 66.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.64 -36.97 17.16 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.515 0.726 . . . . 0.0 112.299 169.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -59.82 -51.0 71.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.907 1.283 . . . . 0.0 112.422 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.44 -90.75 0.37 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.574 1.55 . . . . 0.0 110.423 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -145.99 153.34 40.66 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.176 1.39 . . . . 0.0 111.343 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -30.11 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -85.27 6.35 26.53 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.362 1.465 . . . . 0.0 114.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.99 165.8 22.68 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -132.41 165.84 23.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.979 1.711 . . . . 0.0 111.885 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.81 -176.91 47.04 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 121.493 -0.755 . . . . 0.0 114.425 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -159.96 178.85 9.31 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.068 1.747 . . . . 0.0 112.139 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.4 m -93.32 140.1 29.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.436 0.694 . . . . 0.0 110.907 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -148.51 136.96 21.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.423 1.889 . . . . 0.0 109.038 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.75 44.27 27.85 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.327 1.051 . . . . 0.0 112.772 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 55.18 29.23 12.3 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.295 1.438 . . . . 0.0 114.494 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.46 163.57 33.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.113 1.365 . . . . 0.0 110.796 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m -71.65 161.33 31.16 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 122.209 1.004 . . . . 0.0 113.216 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -151.83 133.0 14.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.319 2.248 . . . . 0.0 108.198 171.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.6 m -101.73 147.96 25.84 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.45 1.1 . . . . 0.0 110.978 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.9 p -133.3 157.63 44.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.846 0.832 . . . . 0.0 112.682 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.81 26.49 13.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.965 1.306 . . . . 0.0 113.46 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.8 165.19 25.65 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.46 -1.4 . . . . 0.0 112.162 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.42 169.83 5.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.826 1.651 . . . . 0.0 114.617 169.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.99 -20.31 65.17 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.226 -0.921 . . . . 0.0 113.381 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -77.88 5.87 8.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.72 150.09 49.59 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -175.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.67 133.44 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.8 m -134.12 139.34 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.023 0.929 . . . . 0.0 110.927 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 60.28 159.88 0.11 Allowed Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 126.606 1.962 . . . . 0.0 116.177 -175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.71 164.39 21.48 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.142 3.228 . . . . 0.0 114.877 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.52 124.17 68.27 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 123.931 0.893 . . . . 0.0 111.807 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -85.32 -20.76 3.2 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.564 2.843 . . . . 0.0 114.527 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -96.45 -67.48 0.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -67.46 139.68 57.06 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.128 -0.983 . . . . 0.0 111.111 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 . . . . . 0 N--CA 1.476 0.847 0 C-N-CA 125.174 1.389 . . . . 0.0 112.319 175.789 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.3 tttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -99.97 146.89 26.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 172.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.25 158.34 30.69 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -71.51 158.93 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.827 1.651 . . . . 0.0 112.531 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 tp -67.71 78.22 0.2 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.773 1.229 . . . . 0.0 111.506 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -53.12 151.82 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.787 2.035 . . . . 0.0 113.557 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -152.21 150.66 30.07 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.324 1.05 . . . . 0.0 110.985 171.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -88.2 -25.93 22.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.893 1.277 . . . . 0.0 112.271 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -72.08 -35.66 69.31 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -153.6 152.7 31.17 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.249 1.02 . . . . 0.0 113.124 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.35 -4.21 89.6 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-O 118.45 -1.195 . . . . 0.0 115.128 170.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -77.33 145.88 37.09 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.07 1.935 . . . . 0.0 113.28 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -69.43 124.91 25.12 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.424 1.889 . . . . 0.0 114.892 -174.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -80.18 98.8 7.49 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.851 1.26 . . . . 0.0 111.561 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 p -78.39 157.86 28.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.743 2.017 . . . . 0.0 112.974 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.1 p -154.77 -141.31 0.1 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.195 0.998 . . . . 0.0 113.202 177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 179.24 1.63 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.357 2.663 . . . . 0.0 114.28 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.88 164.67 23.24 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.3 1.048 . . . . 0.0 112.22 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.3 129.99 44.77 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.851 0.834 . . . . 0.0 112.185 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 -18.11 35.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.952 1.263 . . . . 0.0 115.126 -175.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -70.54 139.53 51.56 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.613 1.707 . . . . 0.0 111.651 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -133.1 -21.65 2.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.234 1.813 . . . . 0.0 115.248 -166.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -56.07 -39.73 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -170.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -76.14 -48.96 18.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.858 1.263 . . . . 0.0 112.905 171.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -63.35 -34.5 77.84 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.599 -0.688 . . . . 0.0 112.807 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.25 -43.48 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.316 -0.865 . . . . 0.0 112.003 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -63.48 -36.2 82.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.869 0.868 . . . . 0.0 112.884 -177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.25 -44.83 58.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.842 0.457 . . . . 0.0 112.006 170.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.19 -44.02 97.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.95 1.3 . . . . 0.0 112.003 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.33 -13.71 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.359 1.464 . . . . 0.0 114.897 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -97.69 -33.28 11.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.447 1.099 . . . . 0.0 112.287 171.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -77.32 -45.05 27.43 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -93.02 -88.52 0.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.997 0.919 . . . . 0.0 110.277 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -157.63 164.41 37.26 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.416 1.086 . . . . 0.0 112.097 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.49 -30.9 68.88 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -168.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.1 p -82.43 2.81 30.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 173.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.85 154.09 42.14 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.595 1.089 . . . . 0.0 113.48 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -141.78 152.03 43.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.62 1.968 . . . . 0.0 111.079 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.11 172.79 42.88 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 121.188 -0.945 . . . . 0.0 114.8 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -149.03 168.74 22.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.957 1.303 . . . . 0.0 113.228 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.05 64.35 6.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.499 1.12 . . . . 0.0 112.764 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -67.39 126.95 30.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.946 1.298 . . . . 0.0 110.274 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.39 36.9 14.16 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.879 0.872 . . . . 0.0 113.289 -169.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 64.96 10.78 6.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 116.133 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.77 143.67 50.96 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.374 1.069 . . . . 0.0 112.081 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -66.88 126.96 30.73 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.734 0.778 . . . . 0.0 112.502 -169.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -138.9 116.11 11.07 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.159 1.783 . . . . 0.0 110.307 -168.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.0 m -89.02 154.26 20.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.849 2.06 . . . . 0.0 112.665 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -124.21 161.26 26.1 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.708 2.003 . . . . 0.0 112.349 -168.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 55.76 21.05 4.41 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.532 1.933 . . . . 0.0 115.697 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.53 164.07 26.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.468 1.507 . . . . 0.0 114.952 -170.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.03 168.03 7.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.757 1.623 . . . . 0.0 114.321 168.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -54.69 -24.48 22.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.633 1.973 . . . . 0.0 114.352 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -76.43 2.74 12.8 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.088 1.355 . . . . 0.0 114.564 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.13 157.45 33.63 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.06 150.15 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 126.515 1.926 . . . . 0.0 110.27 -172.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 m -115.0 177.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.747 1.219 . . . . 0.0 112.961 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -50.89 161.22 0.7 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.898 2.079 . . . . 0.0 113.6 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.315 0.1 OUTLIER 41.6 73.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.834 2.356 . . . . 0.0 114.592 -162.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 145.22 99.09 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 126.805 2.042 . . . . 0.0 111.902 -169.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -64.85 -21.65 64.12 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.264 1.976 . . . . 0.0 112.606 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -66.0 -49.68 66.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.374 1.07 . . . . 0.0 113.509 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.32 153.38 25.37 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.593 1.157 . . . . 0.0 112.949 -172.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 . . . . . 0 N--CA 1.484 1.253 0 C-N-CA 127.334 2.254 . . . . 0.0 112.365 177.409 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.6 tttt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -90.32 173.19 8.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.851 1.261 . . . . 0.0 111.125 169.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.82 160.89 34.63 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 120.855 -1.153 . . . . 0.0 115.523 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -79.48 160.8 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.551 1.141 . . . . 0.0 111.674 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 tp -98.61 113.89 26.12 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.395 0.678 . . . . 0.0 111.079 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -153.22 147.23 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 110.509 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -87.99 132.33 34.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.063 1.345 . . . . 0.0 110.761 170.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -56.16 -21.73 24.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.22 -34.01 75.45 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -161.18 138.02 8.68 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.8 1.182 . . . . 0.0 113.891 -169.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.46 13.16 12.0 Favored Glycine 0 CA--C 1.534 1.271 0 N-CA-C 115.853 1.101 . . . . 0.0 115.853 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 129.93 43.09 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.248 1.524 . . . . 0.0 110.096 169.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -71.82 130.0 40.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.787 1.235 . . . . 0.0 112.033 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -72.54 105.39 4.18 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 p -73.31 160.21 32.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 112.475 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.3 p -141.2 134.0 28.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.225 1.01 . . . . 0.0 110.373 172.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.73 71.68 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -168.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -150.42 139.47 21.06 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.414 1.006 . . . . 0.0 113.082 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 mt -66.68 142.63 57.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.871 1.268 . . . . 0.0 109.432 170.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.57 4.95 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.466 1.031 . . . . 0.0 115.333 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.71 51.14 1.44 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.524 1.662 . . . . 0.0 109.601 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -71.83 -17.01 62.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.405 -1.434 . . . . 0.0 114.64 -169.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.83 -26.79 48.29 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.36 1.064 . . . . 0.0 112.822 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.9 -55.11 16.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.051 0.94 . . . . 0.0 111.815 169.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.8 m -66.14 -29.65 69.98 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.187 -0.946 . . . . 0.0 113.409 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.91 -48.83 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.837 1.199 . . . . 0.0 110.747 172.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -60.98 -52.02 66.77 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -69.68 -28.33 65.77 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.158 -0.964 . . . . 0.0 112.885 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.2 t -70.12 -47.68 60.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.187 0.995 . . . . 0.0 112.002 172.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -67.15 -24.96 65.95 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.64 -19.95 47.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -84.32 -62.02 1.66 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.645 1.178 . . . . 0.0 112.333 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.44 -83.77 0.1 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.408 0.683 . . . . 0.0 111.364 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -155.94 156.22 34.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.563 1.145 . . . . 0.0 111.282 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -54.61 -31.0 56.34 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 m -75.46 -3.42 33.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.52 19.16 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -141.35 167.95 20.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.656 2.382 . . . . 0.0 112.238 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 177.83 46.46 Favored Glycine 0 CA--C 1.536 1.38 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -146.46 167.11 24.46 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.313 1.445 . . . . 0.0 112.84 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.7 t -88.38 130.02 35.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.281 1.032 . . . . 0.0 110.218 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -151.22 128.65 11.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.651 1.18 . . . . 0.0 110.783 -172.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.04 29.69 4.8 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -170.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.256 67.5 m-85 61.68 28.87 17.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.908 1.683 . . . . 0.0 114.913 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.02 149.34 45.97 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.231 1.812 . . . . 0.0 110.287 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.64 141.73 42.75 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.249 -1.532 . . . . 0.0 113.309 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -130.69 121.19 25.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.36 1.864 . . . . 0.0 109.763 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.5 m -86.88 147.06 25.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.507 1.523 . . . . 0.0 112.297 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 p -127.1 158.09 37.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.788 1.235 . . . . 0.0 112.819 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.7 m80 58.14 32.83 22.51 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.276 1.43 . . . . 0.0 113.544 175.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.48 170.54 15.13 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.015 -1.053 . . . . 0.0 111.671 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.5 167.92 1.78 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.371 1.468 . . . . 0.0 113.484 167.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.17 -24.44 59.0 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.542 -1.349 . . . . 0.0 113.18 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -77.41 13.27 1.25 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.131 1.372 . . . . 0.0 114.289 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.52 161.98 16.28 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.714 1.206 . . . . 0.0 113.431 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.5 t -127.93 137.09 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.995 1.718 . . . . 0.0 110.37 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.2 m -94.76 -157.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.489 1.116 . . . . 0.0 112.271 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -53.63 154.46 6.67 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 125.837 1.655 . . . . 0.0 113.972 -175.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.25 154.06 15.28 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.533 2.822 . . . . 0.0 115.289 -172.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.82 137.31 54.26 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.674 171.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -60.78 -22.01 72.07 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.245 2.63 . . . . 0.0 113.535 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.4 -37.79 84.73 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.488 1.515 . . . . 0.0 113.68 171.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -79.83 57.93 2.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.262 1.825 . . . . 0.0 112.511 -174.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 125.802 1.641 . . . . 0.0 112.426 -175.179 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.491 0.186 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -137.0 151.62 49.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.817 1.647 . . . . 0.0 112.327 -168.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.67 168.74 41.52 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 117.57 1.788 . . . . 0.0 117.57 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.11 131.15 43.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.6 1.96 . . . . 0.0 113.12 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.2 tp -83.16 128.11 34.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.81 150.15 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.383 1.873 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -72.47 151.94 42.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.852 0.861 . . . . 0.0 112.368 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.01 -8.55 58.32 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -171.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -129.8 -1.96 4.75 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t -158.8 142.44 15.11 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.752 1.221 . . . . 0.0 109.338 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 12.59 1.25 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 116.417 1.327 . . . . 0.0 116.417 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.5 m -70.4 118.66 13.49 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.092 1.446 . . . . 0.0 113.031 -176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -57.63 149.06 22.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.997 2.519 . . . . 0.0 114.432 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -87.54 105.42 17.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.479 -0.763 . . . . 0.0 110.126 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.7 p -73.16 148.42 43.86 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.006 1.722 . . . . 0.0 114.389 -172.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -125.54 153.17 44.03 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.797 1.639 . . . . 0.0 110.467 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.37 -26.82 13.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.003 1.321 . . . . 0.0 113.708 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -143.26 142.5 31.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.161 2.585 . . . . 0.0 110.037 -174.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -91.06 148.46 22.37 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 0.0 112.632 -169.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 -2.21 48.82 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 115.155 0.822 . . . . 0.0 115.155 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -72.01 158.23 36.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.849 1.66 . . . . 0.0 112.159 169.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -143.69 -28.52 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.31 -39.55 67.1 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.979 1.718 . . . . 0.0 113.086 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -68.88 -54.93 12.83 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.775 1.23 . . . . 0.0 112.779 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.83 -33.86 66.44 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -169.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.58 -46.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.391 0.996 . . . . 0.0 111.044 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -59.5 -54.59 44.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.163 0.985 . . . . 0.0 112.26 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -67.36 -28.67 68.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 112.953 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.05 -46.82 55.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.252 0.621 . . . . 0.0 112.371 172.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -68.27 -23.36 64.76 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.108 -0.995 . . . . 0.0 113.193 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.35 -25.35 46.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.912 0.885 . . . . 0.0 113.133 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -75.46 -49.33 19.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.103 0.865 . . . . 0.0 112.591 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.39 -69.72 0.83 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -170.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -169.69 158.58 7.66 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.793 1.237 . . . . 0.0 111.401 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -30.6 14.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.682 1.993 . . . . 0.0 115.581 -177.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -89.74 4.47 49.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 114.406 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.52 150.55 25.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.668 0.787 . . . . 0.0 110.883 170.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -135.59 175.51 9.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.811 1.244 . . . . 0.0 110.398 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.66 172.2 45.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.202 -0.936 . . . . 0.0 114.477 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -148.0 166.97 26.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.917 1.287 . . . . 0.0 112.475 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.1 m -85.07 126.98 34.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.64 0.776 . . . . 0.0 112.875 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -148.97 136.96 20.72 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.588 2.355 . . . . 0.0 109.744 -174.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.83 33.99 9.52 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.261 98.3 m-85 55.48 33.43 20.98 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.55 1.94 . . . . 0.0 114.654 -173.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.68 166.83 23.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.53 1.932 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 t -84.99 132.54 34.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.501 1.12 . . . . 0.0 111.846 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -123.52 114.06 19.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.48 1.912 . . . . 0.0 109.651 -175.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.0 m -80.79 153.28 27.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.192 1.397 . . . . 0.0 112.977 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.1 p -134.48 168.96 17.99 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.887 2.075 . . . . 0.0 110.98 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m80 64.38 24.21 13.17 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.02 1.328 . . . . 0.0 114.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.73 136.05 40.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.374 1.47 . . . . 0.0 114.1 -173.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 162.58 26.98 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.939 0.896 . . . . 0.0 111.261 166.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -58.45 -25.69 62.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.145 -0.972 . . . . 0.0 112.382 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -76.05 -0.19 20.9 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.955 1.302 . . . . 0.0 114.315 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.72 173.15 6.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.706 1.202 . . . . 0.0 113.642 176.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -114.27 116.85 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.898 1.279 . . . . 0.0 108.871 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.32 -28.05 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -170.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -75.21 164.67 59.66 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.215 0.606 . . . . 0.0 111.108 168.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.86 151.11 79.71 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.763 2.309 . . . . 0.0 111.995 172.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 tp -72.48 117.69 61.14 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.168 0.895 . . . . 0.0 111.268 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -77.94 -16.79 14.14 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.613 2.209 . . . . 0.0 112.56 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.94 -57.07 8.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.306 1.043 . . . . 0.0 112.3 -171.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -148.82 144.01 26.69 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.99 1.316 . . . . 0.0 112.847 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 124.807 1.243 . . . . 0.0 111.128 172.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.1 tttt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.83 148.7 39.63 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.649 1.58 . . . . 0.0 111.253 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.17 169.94 41.74 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.16 135.57 33.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.444 1.098 . . . . 0.0 111.169 -175.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -83.31 110.55 18.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.978 0.894 . . . . 0.0 111.483 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.94 156.46 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 126.192 1.797 . . . . 0.0 109.928 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.47 151.14 45.45 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -176.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -69.49 -26.76 64.71 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.12 -0.988 . . . . 0.0 113.177 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -97.58 -19.81 18.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -158.31 160.45 37.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.628 1.171 . . . . 0.0 112.108 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.23 11.42 8.57 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.331 -1.481 . . . . 0.0 116.088 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.47 116.83 7.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.682 1.193 . . . . 0.0 112.681 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -63.83 150.61 44.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.976 1.71 . . . . 0.0 112.395 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -104.58 106.2 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.999 0.92 . . . . 0.0 110.732 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.5 p -78.69 158.39 28.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.581 1.152 . . . . 0.0 113.872 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -112.65 139.38 48.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.874 1.67 . . . . 0.0 111.082 173.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.04 63.69 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.249 1.019 . . . . 0.0 112.475 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -148.55 148.12 29.82 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.88 1.272 . . . . 0.0 112.555 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.73 158.26 36.44 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.748 0.785 . . . . 0.0 110.65 168.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -15.91 9.41 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.42 127.36 31.6 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.804 1.802 . . . . 0.0 111.02 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -93.33 -68.46 0.8 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.018 0.927 . . . . 0.0 110.735 171.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -65.31 -20.96 66.64 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -58.36 -45.59 87.92 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.637 1.175 . . . . 0.0 111.273 169.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.2 t -81.58 -38.54 25.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.275 1.03 . . . . 0.0 111.457 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.94 -39.91 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.416 1.007 . . . . 0.0 110.93 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -56.22 -43.2 78.33 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.307 1.043 . . . . 0.0 112.382 173.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.85 -47.38 62.9 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.235 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.0 -47.13 87.1 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.708 0.803 . . . . 0.0 111.226 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -2.04 18.11 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.309 1.444 . . . . 0.0 114.457 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.98 -33.49 5.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.685 1.594 . . . . 0.0 113.299 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -75.2 -35.65 61.5 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.551 1.54 . . . . 0.0 112.245 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.05 -173.81 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.488 2.315 . . . . 0.0 109.595 174.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.78 148.64 2.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 170.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.87 -19.76 65.32 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.783 -1.198 . . . . 0.0 113.531 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -71.65 -3.99 24.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.841 1.256 . . . . 0.0 114.266 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.26 152.93 44.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.693 1.133 . . . . 0.0 113.628 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -131.03 -178.07 4.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.729 1.612 . . . . 0.0 110.819 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.46 -176.27 42.29 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-N 119.998 1.272 . . . . 0.0 116.162 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -163.08 171.45 16.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.826 2.05 . . . . 0.0 112.372 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.23 124.34 33.21 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.946 -1.096 . . . . 0.0 113.205 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.84 143.47 29.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.852 2.461 . . . . 0.0 108.941 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.84 34.21 21.5 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 120.021 1.282 . . . . 0.0 113.3 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 49.79 33.61 6.56 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.513 1.925 . . . . 0.0 114.177 -170.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.23 160.71 41.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.16 1.384 . . . . 0.0 112.082 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.35 115.2 14.75 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.432 -0.792 . . . . 0.0 112.216 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -99.92 106.14 17.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.878 2.071 . . . . 0.0 109.382 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.76 147.06 27.82 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.732 0.777 . . . . 0.0 111.683 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -135.69 169.73 17.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.914 1.685 . . . . 0.0 111.233 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 m80 64.08 22.77 13.02 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.325 1.45 . . . . 0.0 113.949 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 mt -83.13 166.02 19.02 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.914 1.685 . . . . 0.0 113.635 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -60.54 163.17 5.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.036 1.734 . . . . 0.0 113.533 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -61.82 -14.37 32.64 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -91.76 5.76 48.57 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 157.91 33.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 t -126.66 146.14 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.22 1.408 . . . . 0.0 112.782 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -80.47 -154.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.339 1.456 . . . . 0.0 113.177 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -62.04 140.81 95.87 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.79 1.636 . . . . 0.0 115.284 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -67.0 161.49 42.38 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.468 2.779 . . . . 0.0 111.422 168.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.86 152.06 96.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.207 -0.933 . . . . 0.0 112.311 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -60.69 -17.79 51.58 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.288 2.658 . . . . 0.0 113.069 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -54.4 -33.25 58.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.378 1.871 . . . . 0.0 113.058 168.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -80.86 71.66 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.902 1.281 . . . . 0.0 111.87 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 . . . . . 0 N--CA 1.484 1.275 0 C-N-CA 127.057 2.143 . . . . 0.0 115.556 -175.38 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.9 tttt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -130.0 163.8 25.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.788 1.235 . . . . 0.0 112.012 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.05 140.11 5.78 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -58.54 138.0 57.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.396 1.479 . . . . 0.0 112.555 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.5 tp -79.38 120.82 24.35 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.093 -1.004 . . . . 0.0 111.194 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.95 147.94 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.63 1.572 . . . . 0.0 110.563 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -80.87 142.26 33.79 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -70.89 -10.35 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -176.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.74 -35.24 0.8 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.281 1.032 . . . . 0.0 111.294 -174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -81.67 -24.37 36.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.204 1.001 . . . . 0.0 113.027 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.34 11.51 56.25 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.33 154.36 20.38 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.052 1.426 . . . . 0.0 114.202 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.99 161.58 8.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.213 2.205 . . . . 0.0 114.066 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -124.93 101.71 7.19 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.056 1.342 . . . . 0.0 110.279 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.2 p -81.57 149.01 28.84 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.63 173.9 16.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.229 1.412 . . . . 0.0 112.703 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.62 159.7 21.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.211 1.404 . . . . 0.0 112.8 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -53.66 123.67 12.9 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.8 mt 45.98 -110.11 0.24 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.434 1.893 . . . . 0.0 114.425 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -5.96 30.53 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.966 2.698 . . . . 0.0 116.233 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -78.61 41.2 0.4 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.265 2.033 . . . . 0.0 110.827 169.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -72.63 13.89 0.31 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.851 3.261 . . . . 0.0 117.165 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -58.84 -34.57 71.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -81.14 -39.09 26.12 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.445 1.098 . . . . 0.0 112.094 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.58 -47.16 82.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.189 0.996 . . . . 0.0 113.042 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.89 -37.76 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 121.287 -0.883 . . . . 0.0 111.557 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -66.3 -26.03 67.13 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.954 1.302 . . . . 0.0 114.21 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.1 -50.36 13.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.626 1.103 . . . . 0.0 110.756 167.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.55 -42.91 83.9 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.636 -0.665 . . . . 0.0 112.225 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -77.96 -6.92 55.97 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.6 mt -108.18 -23.37 11.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.242 1.017 . . . . 0.0 113.417 171.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -71.11 -49.62 42.33 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.762 1.625 . . . . 0.0 111.505 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -104.62 -167.52 1.36 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.207 1.803 . . . . 0.0 110.351 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 150.99 3.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.783 1.233 . . . . 0.0 114.064 167.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.21 -16.6 54.31 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -78.38 0.56 25.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.936 1.695 . . . . 0.0 114.519 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.31 165.12 16.98 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.382 0.992 . . . . 0.0 113.571 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -141.24 -176.56 4.75 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.138 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.94 170.42 37.98 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.115 -0.991 . . . . 0.0 114.906 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.36 168.67 19.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.337 1.455 . . . . 0.0 112.915 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -97.77 67.43 1.99 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 112.204 -169.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.55 122.03 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.201 1.401 . . . . 0.0 110.63 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.54 46.05 23.74 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.276 1.03 . . . . 0.0 113.197 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 60.18 19.81 9.16 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.142 1.777 . . . . 0.0 114.864 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.62 145.64 48.81 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.507 1.123 . . . . 0.0 112.36 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.16 130.79 43.03 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.068 0.937 . . . . 0.0 112.852 -169.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -132.0 109.31 9.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.977 2.511 . . . . 0.0 107.989 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -80.26 143.65 33.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.557 0.743 . . . . 0.0 112.014 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.4 p -138.72 171.42 14.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.8 1.64 . . . . 0.0 111.89 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.2 m80 59.18 34.18 23.07 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.374 1.07 . . . . 0.0 112.603 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.4 mt -92.56 151.8 19.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.272 1.429 . . . . 0.0 113.057 -173.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.09 171.25 11.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.754 2.422 . . . . 0.0 114.498 169.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.08 -26.8 61.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.186 0.995 . . . . 0.0 113.229 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -75.35 -0.97 21.61 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 140.89 34.06 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.047 1.294 . . . . 0.0 110.153 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.6 -63.25 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.28 15.6 t 61.62 -102.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 126.9 2.08 . . . . 0.0 114.689 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.8 m-90 -57.13 -32.43 13.33 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -64.52 4.77 0.53 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.677 2.918 . . . . 0.0 117.139 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.52 153.09 62.93 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.941 1.297 . . . . 0.0 112.097 169.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.51 -21.92 11.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.468 2.778 . . . . 0.0 115.518 -171.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -131.65 -63.63 0.82 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.253 1.388 . . . . 0.0 112.906 -174.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.358 0.0 OUTLIER 40.31 28.74 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 119.538 3.162 . . . . 0.0 119.538 177.62 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -92.18 137.01 32.72 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.875 1.27 . . . . 0.0 110.15 169.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.6 t -62.98 111.44 2.16 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -75.02 156.7 35.92 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.63 1.172 . . . . 0.0 110.832 170.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.659 0 O-C-N 120.608 -1.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.9 tttt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -87.0 171.19 10.94 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.181 0.992 . . . . 0.0 112.058 170.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.38 -179.21 44.85 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.173 0.892 . . . . 0.0 114.377 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -120.76 129.73 53.73 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.035 -1.273 . . . . 0.0 110.792 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -70.4 117.36 11.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.578 0.626 . . . . 0.0 111.69 -172.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 p -155.04 145.78 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 126.634 1.973 . . . . 0.0 109.356 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.81 110.88 14.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.339 -0.851 . . . . 0.0 109.818 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -59.47 -26.38 65.19 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -79.46 -44.09 22.0 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.057 -1.027 . . . . 0.0 111.769 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 p -144.5 104.34 4.05 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.558 1.943 . . . . 0.0 108.076 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.76 58.29 0.51 Allowed Glycine 0 N--CA 1.468 0.822 0 C-N-CA 126.859 2.171 . . . . 0.0 117.9 -166.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 144.84 56.43 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.031 0.915 . . . . 0.0 112.18 170.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -73.3 146.65 45.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.499 1.119 . . . . 0.0 112.546 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.27 89.1 2.99 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.435 1.494 . . . . 0.0 108.94 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 p -76.0 166.11 23.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.631 1.972 . . . . 0.0 114.228 -168.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -127.19 142.09 51.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.294 1.438 . . . . 0.0 110.166 168.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.23 -36.51 61.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.54 1.136 . . . . 0.0 112.467 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -151.77 168.08 26.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.485 1.514 . . . . 0.0 112.196 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.8 158.33 32.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.473 -0.767 . . . . 0.0 111.421 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.85 -2.61 54.29 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 116.584 1.393 . . . . 0.0 116.584 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.93 56.23 3.65 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.802 1.801 . . . . 0.0 110.448 169.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -60.89 -33.0 72.44 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.934 0.894 . . . . 0.0 111.766 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.01 -39.93 56.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.511 1.925 . . . . 0.0 113.826 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.19 -48.04 74.82 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.935 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 t -70.25 -33.45 71.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.917 0.887 . . . . 0.0 113.027 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.69 -49.83 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.818 0.847 . . . . 0.0 110.084 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.3 mtm-85 -62.1 -49.01 77.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.139 0.576 . . . . 0.0 112.266 174.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -60.27 -40.77 91.55 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.891 1.223 . . . . 0.0 113.649 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.58 -47.9 65.59 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.85 0.75 . . . . 0.0 111.325 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -71.3 -22.89 61.89 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.5 mt -80.63 -16.26 54.52 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 170.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -91.69 -33.81 14.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.178 0.991 . . . . 0.0 113.548 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -115.15 -76.83 0.57 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.931 0.892 . . . . 0.0 113.226 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.53 152.45 23.67 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.691 1.597 . . . . 0.0 110.897 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -62.4 -25.95 68.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -168.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -74.3 -9.46 58.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.48 158.9 32.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -135.68 177.85 7.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.959 2.104 . . . . 0.0 110.831 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.65 -175.91 47.66 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 114.951 0.741 . . . . 0.0 114.951 173.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.71 161.48 42.51 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.854 1.662 . . . . 0.0 112.426 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.1 132.29 35.11 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.321 -0.862 . . . . 0.0 111.731 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -154.61 140.66 18.37 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.094 0.958 . . . . 0.0 111.472 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.2 43.59 22.79 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 118.982 0.81 . . . . 0.0 112.951 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 58.7 27.92 16.56 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.65 2.38 . . . . 0.0 115.304 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.4 160.41 43.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.759 1.223 . . . . 0.0 112.525 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.75 123.43 31.9 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.006 -1.059 . . . . 0.0 112.506 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -102.06 129.98 48.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 109.165 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.74 150.36 20.47 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 112.432 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -139.91 167.55 21.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.213 1.405 . . . . 0.0 111.779 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.9 m80 62.94 8.97 3.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.787 2.435 . . . . 0.0 116.074 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.21 158.49 11.37 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.212 1.805 . . . . 0.0 112.452 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -56.55 148.9 18.48 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.98 -9.48 21.89 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -105.28 4.12 30.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 130.19 43.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.43 1.014 . . . . 0.0 113.024 -173.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 p -153.49 58.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 124.029 1.871 . . . . 0.0 110.604 -169.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.01 -30.11 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.679 1.592 . . . . 0.0 112.654 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.344 4.2 m-90 -80.01 -160.37 0.02 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 125.92 1.688 . . . . 0.0 115.156 -166.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.26 0.1 OUTLIER 36.21 64.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.093 2.529 . . . . 0.0 115.378 -161.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.67 127.43 92.63 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.005 0.922 . . . . 0.0 112.419 -173.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -71.31 -16.27 31.33 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.403 2.736 . . . . 0.0 115.007 -174.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -130.95 -26.38 2.18 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tptm 64.34 -29.23 0.1 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 119.293 3.072 . . . . 0.0 119.293 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -70.98 151.26 44.83 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.253 1.821 . . . . 0.0 112.509 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.0 t -75.91 162.02 28.47 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.245 1.418 . . . . 0.0 112.526 169.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -74.64 155.09 38.17 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.462 1.505 . . . . 0.0 113.231 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.596 0 O-C-N 121.042 -1.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 93.2 mttt . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 120.585 0.231 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -126.26 138.39 53.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.169 1.388 . . . . 0.0 109.117 169.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.63 -169.49 40.05 Favored Glycine 0 N--CA 1.47 0.905 0 N-CA-C 115.513 0.965 . . . . 0.0 115.513 -172.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -70.2 140.25 52.46 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.81 94.35 2.75 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 105.385 -2.08 . . . . 0.0 105.385 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.98 131.26 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.112 0.965 . . . . 0.0 111.969 -169.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -75.85 97.49 3.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.489 1.116 . . . . 0.0 110.504 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -26.53 55.07 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -72.23 -7.11 47.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.108 1.763 . . . . 0.0 115.157 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -147.63 -21.33 0.37 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.7 84.57 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.038 1.304 . . . . 0.0 114.891 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -76.88 141.49 40.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.989 0.894 . . . . 0.0 111.249 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 143.65 27.76 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -71.33 116.27 11.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.008 0.923 . . . . 0.0 109.911 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -75.14 165.25 25.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.115 1.366 . . . . 0.0 114.015 -173.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.5 m -120.38 141.23 50.28 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.576 1.55 . . . . 0.0 111.396 169.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.89 -17.8 58.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.693 1.197 . . . . 0.0 113.202 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -141.35 147.65 38.42 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.827 1.651 . . . . 0.0 113.127 173.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.88 154.47 28.34 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.148 . . . . 0.0 110.427 168.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.35 -12.61 1.77 Allowed Glycine 0 CA--C 1.539 1.592 0 N-CA-C 116.461 1.345 . . . . 0.0 116.461 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.49 140.07 48.01 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.627 -1.514 . . . . 0.0 110.112 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.12 -37.24 5.4 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.108 1.363 . . . . 0.0 112.934 -174.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -55.28 -45.64 76.17 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.7 -47.45 78.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.599 -0.688 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.62 -39.55 84.72 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.657 -0.687 . . . . 0.0 112.152 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.88 -48.17 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.322 1.419 . . . . 0.0 111.64 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.9 mtm-85 -62.6 -33.51 75.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.899 0.88 . . . . 0.0 113.183 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.48 -39.29 38.79 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -60.16 -49.71 76.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.471 1.032 . . . . 0.0 110.219 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -69.91 -7.0 36.68 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.9 mt -95.85 -37.17 10.84 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 0.0 113.045 169.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -81.27 -23.24 38.08 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -121.79 -171.12 2.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.005 2.122 . . . . 0.0 110.617 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -53.58 148.48 9.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.933 1.693 . . . . 0.0 112.623 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -62.95 -22.88 67.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.853 -1.154 . . . . 0.0 114.019 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -79.79 4.22 17.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.52 153.47 42.17 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.719 1.145 . . . . 0.0 114.06 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -140.29 164.51 29.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.822 2.049 . . . . 0.0 111.411 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.69 -174.97 41.04 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -157.74 171.15 20.83 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.901 2.08 . . . . 0.0 112.347 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.1 m -92.66 126.15 37.62 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -151.1 147.29 26.89 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.922 2.089 . . . . 0.0 110.179 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.65 36.67 14.52 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 61.06 19.55 10.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.556 1.943 . . . . 0.0 114.893 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.02 161.91 34.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.737 1.615 . . . . 0.0 112.269 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.9 t -77.99 129.76 35.68 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.707 0.765 . . . . 0.0 111.012 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -118.96 112.2 19.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.401 2.28 . . . . 0.0 109.526 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.6 m -99.36 146.34 26.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.46 0.704 . . . . 0.0 111.359 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.56 151.34 35.08 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.378 1.071 . . . . 0.0 112.679 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.7 m80 64.05 24.65 13.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.911 1.684 . . . . 0.0 114.914 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.34 163.47 18.07 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.372 1.469 . . . . 0.0 112.256 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.19 1.76 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.153 1.781 . . . . 0.0 114.66 172.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.7 -16.19 36.86 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -75.2 -9.04 58.19 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.47 156.41 38.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.047 0.927 . . . . 0.0 113.448 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -157.81 156.47 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 111.591 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -86.08 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.184 0.994 . . . . 0.0 109.056 167.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -66.99 -31.57 4.03 Favored Pre-proline 0 CA--C 1.56 1.353 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -87.16 54.12 2.8 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 123.267 2.645 . . . . 0.0 113.726 -170.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.22 129.54 79.59 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.858 1.263 . . . . 0.0 111.519 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.28 -25.02 31.21 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.527 2.151 . . . . 0.0 114.113 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -79.69 -44.22 21.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -169.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -145.81 160.21 42.09 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.159 2.184 . . . . 0.0 110.457 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -125.61 116.69 22.11 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.064 1.346 . . . . 0.0 113.069 -171.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.3 t -149.23 131.95 15.95 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.128 0.971 . . . . 0.0 112.085 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -90.33 -26.65 19.86 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.254 1.422 . . . . 0.0 113.656 171.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.58 0 O-C-N 121.253 -0.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.2 tttt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -135.59 144.11 45.99 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.305 1.442 . . . . 0.0 111.335 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.32 179.49 43.09 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 116.861 1.504 . . . . 0.0 116.861 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -73.75 128.55 35.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.967 1.707 . . . . 0.0 112.891 -174.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -77.72 121.66 24.32 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.485 -0.759 . . . . 0.0 112.367 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.54 150.5 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.828 1.251 . . . . 0.0 112.265 -171.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.88 111.65 12.64 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.131 -0.981 . . . . 0.0 111.046 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -59.73 -27.97 66.95 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -81.49 -54.97 4.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.028 0.931 . . . . 0.0 112.473 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 p -112.0 -3.55 14.76 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.54 78.78 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.254 1.407 . . . . 0.0 116.458 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.5 m -63.73 140.88 58.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.22 1.51 . . . . 0.0 113.647 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -89.04 140.17 29.71 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.999 1.319 . . . . 0.0 111.058 168.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -97.26 97.86 9.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.367 0.667 . . . . 0.0 111.622 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -73.68 152.36 40.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.452 1.501 . . . . 0.0 113.288 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -147.99 147.58 29.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.643 1.577 . . . . 0.0 110.479 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.73 -48.27 5.01 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -87.86 111.07 21.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.844 0.858 . . . . 0.0 110.732 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.3 mt -77.78 149.86 34.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.32 2.248 . . . . 0.0 112.965 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.43 -25.37 0.59 Allowed Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.526 1.536 . . . . 0.0 114.854 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.52 148.3 49.66 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.725 1.61 . . . . 0.0 112.815 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -110.54 -10.65 14.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.964 1.306 . . . . 0.0 113.884 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.68 -32.69 59.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 114.9 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -96.27 -39.45 9.65 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.917 1.287 . . . . 0.0 113.377 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.17 -23.39 41.09 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -170.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.05 -44.36 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.521 1.51 . . . . 0.0 111.23 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -58.58 -49.58 76.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.622 0.769 . . . . 0.0 112.244 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -62.24 -43.66 98.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.99 0.814 . . . . 0.0 111.711 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.6 t -60.21 -45.78 92.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.596 1.158 . . . . 0.0 111.843 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.23 -21.77 45.74 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.0 mt -81.48 -38.36 26.47 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.603 1.161 . . . . 0.0 112.155 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -69.94 -43.49 71.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.942 0.792 . . . . 0.0 112.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -106.44 -83.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.042 0.937 . . . . 0.0 112.999 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -150.54 148.41 28.65 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.806 1.242 . . . . 0.0 110.852 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -63.41 -22.22 66.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 -167.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -87.97 6.92 33.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.137 1.375 . . . . 0.0 114.485 173.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.5 166.31 22.91 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.876 -1.14 . . . . 0.0 112.765 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -149.09 148.72 30.01 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.798 1.239 . . . . 0.0 111.25 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.48 171.76 40.06 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 119.544 1.066 . . . . 0.0 115.015 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -148.53 171.15 16.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.885 1.274 . . . . 0.0 112.719 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.5 t -86.99 124.06 32.77 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -146.56 131.58 18.23 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.32 1.448 . . . . 0.0 111.672 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.82 46.38 24.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.102 1.361 . . . . 0.0 112.763 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.471 1.908 . . . . 0.0 115.665 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.96 157.83 44.09 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.869 -1.144 . . . . 0.0 112.109 170.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 130.95 41.46 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.336 -0.852 . . . . 0.0 111.584 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -102.72 136.1 43.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.538 2.335 . . . . 0.0 108.453 170.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.2 t -129.31 144.39 51.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.816 1.246 . . . . 0.0 110.866 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.3 p -127.14 171.77 11.12 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.349 1.46 . . . . 0.0 114.093 -167.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 62.37 28.89 17.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.221 2.208 . . . . 0.0 114.011 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -72.97 138.99 46.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.665 1.186 . . . . 0.0 113.179 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.21 150.87 40.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 166.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.72 -15.7 59.19 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.624 -1.298 . . . . 0.0 113.509 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -78.24 -5.13 50.99 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.02 151.23 45.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.325 1.05 . . . . 0.0 112.78 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -97.28 123.5 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.114 0.966 . . . . 0.0 110.626 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.8 -40.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.567 1.547 . . . . 0.0 112.472 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -69.93 145.97 94.79 Favored Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 121.132 -0.98 . . . . 0.0 112.744 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.94 141.74 66.29 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.512 2.808 . . . . 0.0 115.411 -171.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.33 155.24 84.07 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.217 1.007 . . . . 0.0 111.694 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.44 -30.06 5.52 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.908 2.406 . . . . 0.0 113.683 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -97.4 -50.31 4.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.727 0.811 . . . . 0.0 111.108 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 52.34 24.42 2.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.545 3.138 . . . . 0.0 117.303 170.547 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -75.33 83.78 2.46 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.764 1.625 . . . . 0.0 110.269 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 t -60.44 138.87 57.93 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.001 1.721 . . . . 0.0 114.249 -168.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 78.0 mttt 61.46 14.88 6.19 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 127.499 2.32 . . . . 0.0 115.669 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 120.449 -1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.3 tttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.92 169.07 18.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.952 0.901 . . . . 0.0 113.314 -167.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.15 160.13 23.02 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.64 147.21 52.22 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.006 1.322 . . . . 0.0 111.276 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -80.21 132.46 35.88 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.789 -1.194 . . . . 0.0 112.29 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.0 151.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.61 1.164 . . . . 0.0 111.875 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.19 155.56 34.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 122.579 1.181 . . . . 0.0 112.921 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -72.98 -30.59 63.94 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.848 -1.157 . . . . 0.0 111.249 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -85.79 -23.77 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -158.84 156.64 30.04 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.002 -1.061 . . . . 0.0 112.901 -173.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.03 10.36 20.37 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.942 1.258 . . . . 0.0 115.659 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.2 m -71.07 133.9 46.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.879 1.339 . . . . 0.0 113.689 -171.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.97 155.05 39.6 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.597 1.559 . . . . 0.0 113.298 172.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.64 101.76 9.4 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 110.013 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 p -77.64 143.74 37.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 113.114 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.5 m -98.51 149.75 22.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.671 1.188 . . . . 0.0 108.86 169.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.65 -26.11 62.41 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -143.58 152.35 41.3 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.591 1.956 . . . . 0.0 111.442 169.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.98 136.01 57.79 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 167.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.63 5.82 89.22 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -76.6 50.03 0.65 Allowed 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.439 2.12 . . . . 0.0 112.297 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -56.94 -37.39 71.47 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.957 1.303 . . . . 0.0 113.869 -166.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.27 59.19 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.397 1.479 . . . . 0.0 113.843 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -75.39 -46.84 30.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.779 1.232 . . . . 0.0 111.655 170.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -65.1 -37.25 86.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.163 -0.96 . . . . 0.0 112.528 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.36 -48.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.041 0.937 . . . . 0.0 110.773 173.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -57.45 -58.12 9.69 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.001 1.321 . . . . 0.0 112.096 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.07 -35.51 79.98 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -174.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.3 t -66.47 -47.38 73.28 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.364 0.983 . . . . 0.0 111.303 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.38 -21.78 61.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.6 mt -79.92 -35.3 38.06 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.495 170.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -78.93 -48.19 15.02 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -95.61 -75.1 0.53 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.368 1.067 . . . . 0.0 111.578 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -161.19 153.63 20.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.132 0.973 . . . . 0.0 112.3 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -58.67 -26.86 64.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -92.24 6.34 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 150.21 49.28 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.185 0.902 . . . . 0.0 112.969 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -121.59 179.22 4.53 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.129 1.772 . . . . 0.0 109.868 171.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.46 -178.94 48.34 Favored Glycine 0 CA--C 1.533 1.203 0 O-C-N 121.111 -0.993 . . . . 0.0 115.073 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -152.55 168.1 26.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.82 2.048 . . . . 0.0 112.589 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -101.87 121.23 41.71 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.254 1.022 . . . . 0.0 111.269 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -151.93 147.04 26.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.021 1.729 . . . . 0.0 109.856 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.21 40.23 25.57 Favored 'General case' 0 CA--C 1.551 1.009 0 O-C-N 121.002 -1.061 . . . . 0.0 112.52 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 57.49 8.72 0.66 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.878 2.871 . . . . 0.0 116.891 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.9 160.95 34.23 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.765 1.226 . . . . 0.0 113.404 -173.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.8 129.09 37.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -122.14 117.94 27.48 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.746 2.018 . . . . 0.0 109.787 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.1 m -80.29 149.5 30.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.009 1.324 . . . . 0.0 112.829 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.0 p -132.95 162.43 31.66 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.997 1.719 . . . . 0.0 112.566 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 58.76 30.44 20.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.966 1.706 . . . . 0.0 113.968 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.26 151.06 44.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.442 1.497 . . . . 0.0 114.077 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.28 154.6 37.73 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.147 0.975 . . . . 0.0 111.568 166.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -60.44 -16.75 39.17 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.817 -1.177 . . . . 0.0 113.184 174.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.09 -8.68 59.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.22 1.408 . . . . 0.0 114.146 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 151.26 46.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.646 1.179 . . . . 0.0 113.958 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.81 134.67 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.245 1.418 . . . . 0.0 112.225 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 -61.77 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.083 1.353 . . . . 0.0 113.456 -169.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -83.0 -30.34 0.48 Allowed Pre-proline 0 N--CA 1.48 1.055 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -70.47 16.68 0.25 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.444 3.429 . . . . 0.0 116.94 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.43 117.9 45.2 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 119.592 1.087 . . . . 0.0 109.552 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.04 -26.5 10.79 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 121.998 1.799 . . . . 0.0 114.786 -169.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -142.51 -32.5 0.49 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 117.589 2.44 . . . . 0.0 117.589 -166.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -66.25 105.54 1.44 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.452 1.024 . . . . 0.0 111.981 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.39 142.56 46.97 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 126.301 1.84 . . . . 0.0 112.361 -174.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.9 t -164.25 137.85 5.29 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.28 1.432 . . . . 0.0 112.006 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -64.79 -32.48 74.19 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.119 1.368 . . . . 0.0 113.333 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 121.285 -0.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.594 0.235 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.64 160.71 31.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.431 1.493 . . . . 0.0 110.607 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.2 173.1 39.98 Favored Glycine 0 N--CA 1.47 0.902 0 O-C-N 120.951 -1.093 . . . . 0.0 114.016 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -74.9 148.39 40.17 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -76.39 143.73 40.5 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 110.845 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.95 153.42 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.321 1.448 . . . . 0.0 111.484 -170.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.15 157.44 13.18 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.326 1.05 . . . . 0.0 112.661 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -93.44 -10.92 33.45 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.855 1.262 . . . . 0.0 114.156 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -111.88 -44.8 3.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.762 1.225 . . . . 0.0 113.446 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 p -107.37 163.08 13.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.512 1.125 . . . . 0.0 112.672 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.28 9.79 5.32 Favored Glycine 0 CA--C 1.54 1.632 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.0 m -78.36 123.05 26.56 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.063 1.432 . . . . 0.0 112.565 -174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -66.99 158.92 29.73 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.364 1.065 . . . . 0.0 111.88 168.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.42 112.38 12.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 110.74 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.8 p -81.64 145.73 30.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.823 0.849 . . . . 0.0 112.547 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.6 m -114.25 158.26 21.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.124 1.769 . . . . 0.0 111.205 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.27 -34.53 14.21 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -146.87 158.66 43.98 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.291 1.436 . . . . 0.0 112.948 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.41 155.45 37.4 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.69 -0.07 82.93 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.755 -1.216 . . . . 0.0 115.549 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -90.5 29.07 1.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.188 1.395 . . . . 0.0 111.17 167.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -52.8 -29.91 30.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.463 2.705 . . . . 0.0 115.867 -167.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.12 -20.46 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.819 1.19 . . . . 0.0 113.102 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -56.5 -52.49 64.54 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.37 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -72.77 -29.81 63.61 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.55 -52.72 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.989 0.813 . . . . 0.0 110.176 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 ttp-105 -61.78 -57.87 10.19 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 125.467 1.507 . . . . 0.0 113.109 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.47 -30.74 71.56 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.315 -0.865 . . . . 0.0 112.783 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -74.13 -44.53 53.41 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.765 0.711 . . . . 0.0 112.106 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -22.33 63.5 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -78.2 -18.98 54.75 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 169.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -90.97 -64.99 1.05 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.355 1.062 . . . . 0.0 113.608 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -93.42 -57.15 2.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -168.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -156.83 142.7 17.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.597 0.759 . . . . 0.0 111.447 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.63 -17.53 64.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 m -89.07 3.85 50.36 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.63 1.572 . . . . 0.0 113.906 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 164.09 14.24 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.66 -1.275 . . . . 0.0 112.974 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -152.62 152.72 32.13 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.61 1.164 . . . . 0.0 110.935 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.33 39.79 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 123.385 0.517 . . . . 0.0 114.305 -170.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -161.16 176.56 11.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.631 1.572 . . . . 0.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -98.06 141.14 31.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.185 0.994 . . . . 0.0 109.89 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -148.4 134.3 19.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.439 1.096 . . . . 0.0 109.769 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.22 55.14 6.6 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.209 1.004 . . . . 0.0 113.032 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 57.63 11.21 1.21 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.76 155.03 50.51 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.651 1.114 . . . . 0.0 112.816 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -69.71 158.64 35.0 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.283 1.433 . . . . 0.0 113.113 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -146.2 132.34 19.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.419 1.088 . . . . 0.0 112.565 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.9 m -109.4 145.29 36.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.477 2.311 . . . . 0.0 111.349 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.7 p -117.69 155.49 29.85 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 61.07 18.73 9.27 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.844 2.458 . . . . 0.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.47 148.19 33.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.485 1.514 . . . . 0.0 112.0 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 158.99 20.29 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.1 pm0 -56.11 -23.38 33.89 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.398 1.479 . . . . 0.0 113.261 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -79.2 -4.61 51.39 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.55 146.14 34.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.832 -1.168 . . . . 0.0 113.178 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.36 138.0 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.827 1.651 . . . . 0.0 109.832 170.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.68 -4.81 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -172.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -59.77 147.94 77.16 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.32 125.92 14.64 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.27 3.313 . . . . 0.0 114.317 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.54 138.23 40.91 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.646 1.978 . . . . 0.0 112.686 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.32 -22.1 60.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.553 2.169 . . . . 0.0 112.585 172.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.16 -68.45 0.17 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.485 1.914 . . . . 0.0 112.926 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -140.86 120.0 12.88 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.347 1.059 . . . . 0.0 111.87 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.35 136.77 57.87 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.522 1.529 . . . . 0.0 113.391 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.8 m -104.25 130.61 52.04 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.9 0.88 . . . . 0.0 111.436 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -158.23 141.96 15.46 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.304 1.842 . . . . 0.0 110.967 173.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.765 0 O-C-N 120.634 -1.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.7 tttt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.783 -0.081 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.23 168.25 19.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.759 1.623 . . . . 0.0 110.884 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.41 169.78 37.56 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.75 126.32 30.8 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.514 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 133.62 50.04 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.387 -0.821 . . . . 0.0 111.388 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.12 139.96 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.855 0.862 . . . . 0.0 110.979 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -70.9 124.56 24.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.019 0.927 . . . . 0.0 112.351 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -66.04 -24.19 66.69 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -83.59 -58.62 2.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.88 0.872 . . . . 0.0 111.88 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -92.09 -20.27 21.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.91 4.97 90.39 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.47 1.033 . . . . 0.0 114.663 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -85.23 158.58 20.3 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -66.34 156.49 34.32 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.83 1.652 . . . . 0.0 113.421 169.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.53 147.57 22.87 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.799 1.239 . . . . 0.0 111.389 171.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -74.8 167.55 21.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.929 0.891 . . . . 0.0 112.507 169.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.71 162.36 29.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.224 1.41 . . . . 0.0 112.977 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.22 178.37 3.92 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.937 1.295 . . . . 0.0 111.963 168.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -55.47 146.53 19.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.272 1.029 . . . . 0.0 110.79 169.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -51.06 143.83 9.94 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -167.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.84 -6.95 79.6 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 126.05 1.786 . . . . 0.0 115.726 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -62.45 135.89 57.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.092 1.446 . . . . 0.0 111.45 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.4 65.87 1.24 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.496 1.519 . . . . 0.0 110.876 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -134.85 -64.44 0.66 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.313 1.845 . . . . 0.0 112.311 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -91.47 -41.45 10.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.311 -0.868 . . . . 0.0 112.504 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.55 -35.91 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.058 0.943 . . . . 0.0 111.714 169.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.52 -45.14 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.955 0.902 . . . . 0.0 111.77 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -65.87 -53.38 40.4 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 111.242 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.63 -36.07 75.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.226 0.921 . . . . 0.0 112.871 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -63.6 -55.32 24.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.916 0.78 . . . . 0.0 111.348 170.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.03 -6.07 39.66 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 -26.57 15.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.899 1.68 . . . . 0.0 112.914 168.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.83 -40.97 24.02 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.284 1.033 . . . . 0.0 112.236 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.82 -171.57 2.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.822 2.049 . . . . 0.0 109.943 171.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.9 154.09 15.9 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.526 0.73 . . . . 0.0 112.514 166.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 pm0 -64.22 -17.06 63.2 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -65.1 -17.3 64.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.039 1.736 . . . . 0.0 115.277 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.57 175.9 3.84 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -150.75 -170.47 3.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.294 1.438 . . . . 0.0 110.835 172.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.59 179.24 43.26 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 119.998 1.272 . . . . 0.0 115.711 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -158.08 164.75 36.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.249 1.42 . . . . 0.0 113.499 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 98.3 m -87.52 136.34 32.98 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.0 1.32 . . . . 0.0 113.067 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -155.03 141.08 18.37 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.696 1.198 . . . . 0.0 110.676 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.17 33.72 18.62 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 59.07 27.4 16.34 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.53 1.932 . . . . 0.0 114.394 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -140.83 162.36 35.63 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.338 1.055 . . . . 0.0 113.11 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.4 t -92.71 132.9 36.53 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.219 1.007 . . . . 0.0 113.225 -169.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -117.38 125.16 50.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.01 1.724 . . . . 0.0 110.48 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.0 m -97.01 142.41 28.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.355 1.062 . . . . 0.0 112.45 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.8 p -127.55 166.55 17.79 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.234 1.414 . . . . 0.0 111.834 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.4 m80 60.98 39.84 16.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.039 1.736 . . . . 0.0 113.817 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -89.21 148.55 23.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.063 1.345 . . . . 0.0 111.061 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -62.08 145.44 53.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.251 0.548 . . . . 0.0 112.323 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.64 -26.85 65.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.39 -0.819 . . . . 0.0 112.708 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -76.43 1.08 17.42 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.8 159.94 24.99 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.553 1.141 . . . . 0.0 112.158 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -138.83 132.11 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.554 1.142 . . . . 0.0 109.246 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -117.95 -11.72 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -168.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -56.36 151.76 26.89 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.85 143.92 8.74 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 125.45 4.1 . . . . 0.0 115.366 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.51 116.54 41.27 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.954 0.902 . . . . 0.0 109.208 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -67.73 -22.08 44.03 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.101 1.867 . . . . 0.0 112.814 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -85.63 -52.94 5.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.76 1.224 . . . . 0.0 113.299 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -63.04 157.04 23.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.298 1.439 . . . . 0.0 113.131 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.4 95.55 2.55 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.802 1.241 . . . . 0.0 112.797 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.81 148.36 51.42 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.568 1.547 . . . . 0.0 113.477 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -56.09 -35.73 67.35 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.626 0 O-C-N 120.428 -1.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.9 tttt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.19 160.39 16.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.13 1.372 . . . . 0.0 110.516 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.39 34.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -63.4 149.77 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 0.0 111.813 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.37 92.42 5.81 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.918 0.887 . . . . 0.0 109.425 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -78.68 135.96 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -169.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -136.82 147.38 46.55 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.556 1.17 . . . . 0.0 112.885 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -88.59 -30.42 19.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.073 . . . . 0.0 112.576 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -82.39 -37.41 25.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.598 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -112.35 133.49 54.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.197 1.799 . . . . 0.0 111.564 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.62 -28.07 15.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.172 0.892 . . . . 0.0 113.107 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m -81.91 148.41 28.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.979 0.912 . . . . 0.0 112.181 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -53.47 136.89 37.27 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.912 1.685 . . . . 0.0 113.835 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -69.14 127.95 34.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.975 0.893 . . . . 0.0 111.351 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -78.0 152.98 32.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.981 1.712 . . . . 0.0 113.286 -170.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.65 147.78 47.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.146 1.378 . . . . 0.0 109.907 169.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.04 -31.9 21.73 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -167.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -150.71 136.77 18.41 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.74 0.816 . . . . 0.0 111.678 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.73 142.3 55.02 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.512 1.125 . . . . 0.0 110.434 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.55 -26.59 3.06 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.697 1.142 . . . . 0.0 115.322 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -80.29 69.07 6.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.408 1.604 . . . . 0.0 110.164 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -85.93 -14.31 45.13 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.25 -31.14 70.94 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -167.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -74.85 -35.69 62.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.066 1.303 . . . . 0.0 113.011 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.85 -38.23 84.84 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.953 -1.092 . . . . 0.0 111.688 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.53 -45.33 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.144 -0.973 . . . . 0.0 111.905 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -54.3 -52.41 61.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.266 1.026 . . . . 0.0 111.29 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.4 -44.63 95.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.82 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -61.73 -43.68 98.38 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.943 0.792 . . . . 0.0 111.264 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -81.09 -8.08 59.69 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.2 -27.17 13.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.723 0.809 . . . . 0.0 112.786 169.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -73.66 -48.96 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.563 1.545 . . . . 0.0 111.892 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.59 -167.29 1.42 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.551 1.54 . . . . 0.0 110.735 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.05 152.66 3.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 170.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -56.31 -18.46 10.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -99.78 7.89 44.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.704 1.202 . . . . 0.0 113.23 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.37 160.4 19.07 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -138.7 -179.1 5.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.098 1.359 . . . . 0.0 111.008 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.66 -177.2 48.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.229 -0.919 . . . . 0.0 115.362 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.71 163.03 40.84 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.415 1.486 . . . . 0.0 113.739 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -85.39 119.3 25.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 110.55 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -143.06 128.82 19.32 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 111.022 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.26 34.48 11.56 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.167 0.987 . . . . 0.0 112.934 -170.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.253 84.3 m-85 59.75 27.69 17.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.677 1.991 . . . . 0.0 115.396 -174.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.89 149.38 47.61 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.593 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.1 t -72.84 131.53 42.38 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.369 -0.832 . . . . 0.0 112.322 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -132.63 134.82 45.36 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.896 1.679 . . . . 0.0 110.183 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.6 m -96.45 148.33 22.91 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.995 0.902 . . . . 0.0 112.821 -170.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -143.81 166.08 25.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.803 1.641 . . . . 0.0 111.35 -172.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.4 m80 57.74 34.43 24.43 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.259 1.023 . . . . 0.0 112.998 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.92 156.36 18.5 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.202 1.801 . . . . 0.0 113.145 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.55 155.81 24.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.353 1.461 . . . . 0.0 113.212 168.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -66.24 -15.61 63.33 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.88 -1.138 . . . . 0.0 112.588 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -5.45 26.64 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 170.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.5 143.37 51.71 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.822 1.646 . . . . 0.0 111.969 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.14 148.94 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.107 1.763 . . . . 0.0 110.515 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.64 -38.69 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -65.49 -27.98 2.4 Favored Pre-proline 0 CA--C 1.554 1.116 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -64.02 14.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.685 3.59 . . . . 0.0 118.857 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.65 100.35 7.06 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.784 1.234 . . . . 0.0 110.812 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.4 -2.81 12.29 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.056 2.504 . . . . 0.0 112.653 168.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.45 -68.7 0.29 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.096 1.759 . . . . 0.0 115.312 -168.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -147.18 132.32 18.32 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.83 150.3 21.42 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.234 2.214 . . . . 0.0 111.609 170.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.8 t -74.76 123.02 24.19 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -65.57 129.32 39.34 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.599 -0.688 . . . . 0.0 110.059 169.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.706 0 O-C-N 121.104 -0.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 tttm . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -127.38 164.16 22.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.559 1.143 . . . . 0.0 111.721 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.98 158.47 30.56 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 115.698 1.039 . . . . 0.0 115.698 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -79.01 142.43 36.6 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.829 -0.806 . . . . 0.0 112.071 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.0 14.22 0.56 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -171.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.5 p -49.62 132.42 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.041 1.336 . . . . 0.0 111.753 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -84.56 74.62 10.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.175 1.39 . . . . 0.0 109.45 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -40.93 -7.76 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 1 C-N-CA 132.011 4.124 . . . . 0.0 119.727 -168.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.76 -23.17 67.07 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.803 1.241 . . . . 0.0 110.361 164.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.2 p -141.04 173.96 10.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.212 2.605 . . . . 0.0 110.258 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.72 10.91 68.1 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.986 -1.072 . . . . 0.0 115.295 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.51 139.79 57.01 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.487 1.515 . . . . 0.0 114.776 -168.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -82.6 160.56 22.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.907 2.083 . . . . 0.0 114.459 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -129.1 83.33 2.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.201 1.4 . . . . 0.0 111.829 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -72.97 149.44 43.33 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.232 1.413 . . . . 0.0 113.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -139.51 112.09 7.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.236 2.215 . . . . 0.0 108.681 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.75 0.43 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -146.18 160.97 41.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.752 2.021 . . . . 0.0 110.193 -175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.4 mt -106.53 157.32 17.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.305 0.642 . . . . 0.0 110.075 168.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.26 -26.02 1.27 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.275 1.417 . . . . 0.0 116.465 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -76.88 66.2 2.71 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.548 1.674 . . . . 0.0 112.495 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -63.47 -21.15 66.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.559 1.544 . . . . 0.0 115.0 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -49.56 -47.92 48.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.935 1.694 . . . . 0.0 113.049 -170.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.29 -46.85 85.33 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.207 -0.933 . . . . 0.0 113.063 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.4 m -69.24 -30.6 68.77 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.68 -52.98 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.773 1.17 . . . . 0.0 110.027 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -57.36 -42.5 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.737 1.215 . . . . 0.0 113.318 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -77.16 -34.68 56.41 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.01 -41.32 74.47 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.705 1.139 . . . . 0.0 112.268 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -67.47 -5.17 13.72 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -106.04 -28.08 10.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.616 1.167 . . . . 0.0 113.149 171.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -67.47 -54.78 17.24 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.646 1.178 . . . . 0.0 111.386 168.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -100.05 -176.98 3.4 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.25 1.82 . . . . 0.0 109.449 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -56.0 155.96 5.83 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.885 1.274 . . . . 0.0 113.321 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -61.42 -18.95 61.23 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -170.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.7 m -80.35 -4.64 54.28 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.44 158.64 35.92 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.051 1.296 . . . . 0.0 113.485 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -141.19 162.81 34.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.079 1.752 . . . . 0.0 111.271 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.7 173.85 41.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 121.781 -0.575 . . . . 0.0 114.135 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -146.78 168.5 21.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.887 1.275 . . . . 0.0 113.567 -176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.1 m -82.52 60.63 5.25 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.733 1.213 . . . . 0.0 111.633 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.78 115.18 3.48 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.128 0.971 . . . . 0.0 110.531 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 46.96 52.87 11.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 121.948 0.88 . . . . 0.0 112.484 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 67.5 16.75 9.99 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.05 154.06 39.75 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.761 -1.212 . . . . 0.0 112.718 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -74.27 132.78 42.42 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -169.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -135.71 121.78 20.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.379 1.871 . . . . 0.0 110.597 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.6 m -81.98 150.17 27.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.644 1.578 . . . . 0.0 112.765 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -132.06 159.42 38.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.008 1.723 . . . . 0.0 111.933 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 65.06 14.48 9.39 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.37 162.63 29.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.183 1.393 . . . . 0.0 113.088 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.0 172.45 0.42 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 113.831 167.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.43 -14.81 54.39 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.616 -1.302 . . . . 0.0 113.524 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -85.0 18.49 2.47 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.94 27.46 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.617 -1.302 . . . . 0.0 113.338 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.27 131.06 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.03 1.332 . . . . 0.0 111.989 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 m -97.83 171.39 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.012 1.325 . . . . 0.0 112.867 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -70.09 -28.4 1.39 Allowed Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 -169.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -72.58 119.72 6.28 Favored 'Trans proline' 0 C--N 1.353 0.764 0 CA-C-N 123.485 2.28 . . . . 0.0 111.107 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.2 133.27 22.21 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.153 0.981 . . . . 0.0 109.781 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.28 -23.69 38.45 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.65 2.233 . . . . 0.0 114.035 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -138.28 -45.26 0.51 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.753 1.221 . . . . 0.0 113.003 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.46 135.38 57.64 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 120.038 1.29 . . . . 0.0 112.494 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -160.23 104.61 1.48 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.868 1.667 . . . . 0.0 112.193 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.0 m -75.09 149.87 39.0 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -79.98 155.53 27.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.965 0.906 . . . . 0.0 110.948 168.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.575 -1.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.386 0.136 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.53 154.41 21.78 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.75 0.82 . . . . 0.0 111.003 168.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.85 141.11 11.3 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -80.91 107.37 13.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.146 2.178 . . . . 0.0 110.987 175.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.7 tp -78.07 110.33 12.93 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.763 -0.586 . . . . 0.0 112.1 -175.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.09 138.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.952 1.301 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.67 84.16 1.6 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 168.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -54.88 -2.84 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 118.972 2.952 . . . . 0.0 118.972 -167.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -70.59 -15.4 62.75 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.841 0.856 . . . . 0.0 111.043 163.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -134.63 154.42 51.52 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 129.871 3.269 . . . . 0.0 110.038 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.65 -20.42 56.26 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.76 107.98 14.03 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 118.909 1.354 . . . . 0.0 112.296 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 164.35 10.24 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.101 1.761 . . . . 0.0 114.664 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -66.82 117.46 8.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.556 1.142 . . . . 0.0 112.728 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -79.28 156.82 27.91 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.448 1.499 . . . . 0.0 113.193 176.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -130.14 146.13 51.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.914 1.686 . . . . 0.0 110.042 169.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.6 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.445 -0.785 . . . . 0.0 111.979 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.96 152.55 29.25 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.368 1.867 . . . . 0.0 111.293 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -86.67 153.59 21.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.273 1.029 . . . . 0.0 112.235 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.11 -26.77 1.47 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.67 1.129 . . . . 0.0 115.423 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.6 144.99 35.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.509 1.124 . . . . 0.0 112.25 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -137.41 -21.04 1.18 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -170.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.18 -47.08 75.72 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 121.934 2.152 . . . . 0.0 113.433 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -67.9 -49.01 64.36 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.705 1.602 . . . . 0.0 112.396 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.2 t -64.35 -40.22 95.42 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.494 -0.754 . . . . 0.0 112.488 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.74 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.68 1.192 . . . . 0.0 111.009 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.81 -51.08 71.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.919 1.287 . . . . 0.0 112.421 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.37 -33.77 73.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.604 -0.685 . . . . 0.0 112.602 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.74 -49.19 66.79 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.151 0.887 . . . . 0.0 111.652 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -70.01 -15.03 62.96 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.74 -17.81 29.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 113.105 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -85.28 -44.49 12.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.357 1.063 . . . . 0.0 112.161 171.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.44 -151.31 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.296 1.839 . . . . 0.0 110.543 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.73 157.71 28.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.745 2.018 . . . . 0.0 112.644 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -62.92 -22.28 66.65 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.2 p -80.12 4.19 18.1 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.98 161.68 28.41 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 120.361 -1.462 . . . . 0.0 114.101 172.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -146.83 171.26 15.46 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.633 1.973 . . . . 0.0 110.378 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.8 176.03 45.48 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.864 1.221 . . . . 0.0 113.928 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -151.63 167.56 27.75 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 118.246 1.023 . . . . 0.0 113.718 172.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.56 118.45 20.7 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.94 0.896 . . . . 0.0 112.962 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -140.16 133.59 30.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.019 2.528 . . . . 0.0 110.235 -174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.98 24.06 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.947 1.299 . . . . 0.0 113.402 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 55.7 30.9 16.38 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.133 2.173 . . . . 0.0 114.603 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.09 160.29 40.67 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.271 1.828 . . . . 0.0 110.459 173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.46 149.56 45.75 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.632 -1.292 . . . . 0.0 111.688 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -142.67 112.23 6.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.679 1.592 . . . . 0.0 109.484 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.8 m -75.65 148.06 39.0 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.738 0.815 . . . . 0.0 111.33 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -129.94 154.7 47.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.957 0.903 . . . . 0.0 112.477 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.9 m80 64.63 18.5 11.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.4 mt -75.12 168.27 20.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.897 1.279 . . . . 0.0 113.473 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.75 167.29 17.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.747 1.219 . . . . 0.0 114.223 169.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -60.93 -17.87 53.57 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.735 1.214 . . . . 0.0 113.388 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -80.88 1.35 31.21 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 143.61 57.8 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.602 -1.311 . . . . 0.0 113.6 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.7 t -75.98 147.27 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.389 1.476 . . . . 0.0 110.93 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.47 -171.86 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.433 1.093 . . . . 0.0 112.905 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 14.3 m-90 -37.16 142.82 0.37 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 128.723 2.809 . . . . 0.0 116.114 -171.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo 31.07 91.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.993 1 C-N-CA 127.06 5.173 . . . . 0.0 117.049 177.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.3 117.09 14.67 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.653 1.581 . . . . 0.0 112.274 -171.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.54 -13.01 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.99 2.46 . . . . 0.0 113.555 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -77.08 -36.52 55.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.158 1.383 . . . . 0.0 113.71 -174.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -151.55 129.97 12.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.601 1.561 . . . . 0.0 109.826 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -109.12 111.32 22.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.654 1.181 . . . . 0.0 110.741 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.0 t -80.41 140.75 35.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.62 1.568 . . . . 0.0 112.221 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -76.62 -14.36 59.99 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 121.468 -0.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 tttt . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 119.931 -0.08 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.17 161.51 13.56 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.431 1.092 . . . . 0.0 113.592 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.64 162.58 28.93 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 172.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -71.43 134.96 46.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.158 1.383 . . . . 0.0 113.326 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.0 tp -82.72 128.28 34.22 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.121 -0.987 . . . . 0.0 111.476 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -148.49 133.21 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.311 1.044 . . . . 0.0 111.525 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -76.4 117.75 18.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.366 1.066 . . . . 0.0 110.83 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -70.47 -24.83 62.94 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -104.0 -29.93 10.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.947 0.899 . . . . 0.0 113.323 -170.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -145.75 61.66 1.26 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.618 1.967 . . . . 0.0 109.58 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.09 35.81 0.19 Allowed Glycine 0 N--CA 1.47 0.945 0 C-N-CA 129.516 3.436 . . . . 0.0 119.348 -167.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m -67.29 134.63 51.95 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.946 0.873 . . . . 0.0 108.927 169.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -56.44 140.28 46.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.85 1.66 . . . . 0.0 114.623 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -88.76 67.09 8.25 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 0.0 111.939 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -71.92 151.25 43.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.481 1.113 . . . . 0.0 113.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -117.75 145.74 44.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.347 1.859 . . . . 0.0 110.215 168.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.52 -29.0 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -133.8 154.75 50.78 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.799 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.87 61.49 1.46 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.716 1.606 . . . . 0.0 110.827 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.54 9.23 0.02 OUTLIER Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.683 1.135 . . . . 0.0 115.567 -169.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -86.0 28.87 0.77 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.013 1.906 . . . . 0.0 113.209 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -53.26 -29.36 32.41 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.846 2.058 . . . . 0.0 116.322 -168.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.39 -48.83 55.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.584 1.538 . . . . 0.0 113.221 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.95 -40.91 91.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.707 -0.621 . . . . 0.0 112.088 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.4 m -62.58 -38.9 91.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.308 0.504 . . . . 0.0 112.176 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.04 -45.9 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.033 0.933 . . . . 0.0 110.663 174.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -64.2 -29.53 70.63 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.107 1.363 . . . . 0.0 113.856 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.44 -54.9 6.28 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.295 -0.878 . . . . 0.0 110.626 167.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.2 t -59.72 -42.02 92.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.499 1.12 . . . . 0.0 113.009 -170.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.89 -14.67 61.93 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.0 mt -107.97 -34.0 7.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.33 1.052 . . . . 0.0 112.62 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -65.19 -20.76 66.6 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 171.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -123.6 -89.07 0.6 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.858 1.663 . . . . 0.0 110.143 174.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -161.06 151.29 17.66 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 128.262 2.625 . . . . 0.0 109.119 -172.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -62.84 -21.12 65.71 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 m -73.93 -5.1 39.13 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.77 164.25 26.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.882 1.219 . . . . 0.0 113.719 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -147.68 -174.2 4.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.357 1.463 . . . . 0.0 110.699 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.28 176.3 40.96 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 120.756 1.616 . . . . 0.0 116.512 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -154.19 171.92 18.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.857 1.663 . . . . 0.0 113.241 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -87.12 69.33 10.13 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 113.463 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.5 111.55 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.877 -1.139 . . . . 0.0 111.459 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.89 57.72 4.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.393 1.477 . . . . 0.0 112.908 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 64.56 15.85 9.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.954 2.102 . . . . 0.0 116.39 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 145.64 51.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.619 1.099 . . . . 0.0 112.356 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.12 131.7 46.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.285 -0.884 . . . . 0.0 112.441 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -132.81 124.38 27.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.661 2.384 . . . . 0.0 109.15 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -85.46 149.74 25.19 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.577 1.151 . . . . 0.0 112.201 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.74 167.0 17.9 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.072 1.749 . . . . 0.0 109.866 169.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.1 m80 65.05 25.73 12.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.299 1.04 . . . . 0.0 113.713 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -78.9 158.92 27.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.758 1.223 . . . . 0.0 112.354 173.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.21 155.26 17.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.477 1.511 . . . . 0.0 113.04 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -33.59 74.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.732 -1.23 . . . . 0.0 113.179 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -82.39 11.86 5.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.912 1.685 . . . . 0.0 114.441 174.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 129.42 41.93 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.486 1.494 . . . . 0.0 113.661 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.92 113.57 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.225 1.41 . . . . 0.0 111.369 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.0 -16.3 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.696 1.199 . . . . 0.0 114.137 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -74.07 132.75 79.3 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.856 0.862 . . . . 0.0 111.873 -173.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.91 137.96 22.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.227 2.618 . . . . 0.0 115.359 -168.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.04 163.51 55.03 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 111.756 171.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.56 -25.4 34.85 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.424 2.083 . . . . 0.0 113.18 170.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.24 -26.81 64.02 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.297 0.0 OUTLIER -65.04 7.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -68.52 89.65 0.36 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.988 1.715 . . . . 0.0 109.944 169.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.0 t -75.41 156.47 35.33 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.122 0.969 . . . . 0.0 111.745 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -105.58 151.46 24.31 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.818 1.247 . . . . 0.0 111.573 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.676 0 O-C-N 121.091 -1.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.8 tttt . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -97.41 152.07 19.32 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.668 1.187 . . . . 0.0 110.411 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.65 24.26 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 117.491 1.756 . . . . 0.0 117.491 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.55 128.18 33.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.842 1.657 . . . . 0.0 110.268 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.5 tp -71.25 137.38 48.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -140.76 167.0 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.157 1.783 . . . . 0.0 111.941 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -97.98 137.75 36.33 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.334 1.454 . . . . 0.0 108.991 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -66.69 -22.24 66.08 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 120.971 -1.081 . . . . 0.0 112.425 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.23 -29.86 38.5 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.5 t -159.47 140.55 12.67 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.129 0.877 . . . . 0.0 112.913 -173.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.81 16.03 2.76 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 117.045 1.578 . . . . 0.0 117.045 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.03 132.99 45.01 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.515 1.658 . . . . 0.0 112.512 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 138.75 41.16 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -171.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -80.96 82.48 6.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.51 1.124 . . . . 0.0 111.13 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.3 p -70.1 153.23 43.42 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.891 0.876 . . . . 0.0 111.562 169.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -111.4 147.75 34.53 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.12 1.768 . . . . 0.0 109.861 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -43.19 70.18 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.436 -0.79 . . . . 0.0 112.962 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -141.65 151.75 43.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.895 1.678 . . . . 0.0 111.558 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.83 157.45 38.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.467 0.707 . . . . 0.0 111.131 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.64 -32.43 0.71 Allowed Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.328 1.442 . . . . 0.0 114.91 -176.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -76.16 66.34 2.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.421 1.888 . . . . 0.0 111.554 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -84.85 0.69 50.04 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.94 -47.12 87.09 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.444 1.475 . . . . 0.0 112.977 -171.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.89 -43.02 99.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.923 0.889 . . . . 0.0 112.379 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.77 -46.42 84.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.91 0.884 . . . . 0.0 112.336 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.79 -46.45 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.9 0.773 . . . . 0.0 111.219 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -61.71 -51.06 69.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.135 0.974 . . . . 0.0 112.143 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -26.75 67.66 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.782 -1.199 . . . . 0.0 113.594 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.47 -41.69 23.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -67.24 -31.75 72.31 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.391 -0.818 . . . . 0.0 112.169 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.66 -19.89 61.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -81.85 -66.85 0.84 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.269 1.028 . . . . 0.0 112.5 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -90.74 -67.16 0.87 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -157.88 148.71 20.98 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.54 1.536 . . . . 0.0 109.998 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.49 -25.16 66.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 m -74.66 -3.54 31.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 151.94 46.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.869 1.668 . . . . 0.0 113.378 -172.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -139.48 159.8 41.33 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.509 1.524 . . . . 0.0 111.033 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.03 174.46 43.55 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.842 1.211 . . . . 0.0 112.693 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -146.6 164.28 33.13 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 113.124 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.6 52.12 2.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.083 1.353 . . . . 0.0 113.257 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -53.08 120.63 6.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.658 1.183 . . . . 0.0 110.678 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.62 39.35 21.27 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.993 0.917 . . . . 0.0 113.429 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 65.62 22.52 11.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.427 1.891 . . . . 0.0 114.957 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.67 149.29 49.24 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.947 -1.095 . . . . 0.0 113.382 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -72.66 121.5 19.89 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -127.23 120.99 29.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.871 2.068 . . . . 0.0 108.983 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 55.9 m -109.97 156.28 20.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.464 1.106 . . . . 0.0 113.475 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -117.69 161.29 19.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.104 1.362 . . . . 0.0 113.78 -168.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 56.0 25.13 8.44 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.102 1.361 . . . . 0.0 114.558 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.22 151.46 44.29 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.07 1.748 . . . . 0.0 112.129 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -70.23 158.5 35.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.6 0.76 . . . . 0.0 112.146 169.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.08 -29.02 65.12 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.925 0.89 . . . . 0.0 112.785 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -80.41 11.76 3.44 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.83 143.39 55.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.715 -1.241 . . . . 0.0 112.918 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.4 132.68 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.838 0.855 . . . . 0.0 112.456 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -157.31 95.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.072 1.749 . . . . 0.0 108.857 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.392 25.5 m-90 51.12 -143.82 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.441 1.496 . . . . 0.0 113.697 -167.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER 34.21 45.61 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 124.335 3.356 . . . . 0.0 116.573 -165.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.25 142.64 84.87 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.351 1.06 . . . . 0.0 113.694 -169.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.71 -12.28 26.53 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.285 2.657 . . . . 0.0 111.781 167.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -104.36 -116.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.712 2.005 . . . . 0.0 112.611 -169.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -110.65 141.24 44.15 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 118.238 2.681 . . . . 0.0 118.238 -165.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -82.26 106.75 14.4 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.08 2.152 . . . . 0.0 107.591 166.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.16 148.32 52.01 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -54.37 154.42 4.62 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.792 1.637 . . . . 0.0 113.592 174.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.683 0 O-C-N 121.052 -1.03 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.7 tttt . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 119.895 -0.098 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -121.05 153.04 37.92 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.782 1.233 . . . . 0.0 113.013 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.79 163.88 27.31 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 121.459 -0.776 . . . . 0.0 113.616 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -70.91 148.71 47.47 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.097 -1.237 . . . . 0.0 113.568 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.9 tp -76.92 129.27 35.94 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.502 1.121 . . . . 0.0 111.73 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.42 137.63 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.986 0.898 . . . . 0.0 113.146 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -101.52 130.78 47.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.303 1.441 . . . . 0.0 108.494 168.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -69.8 -25.41 63.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -74.99 -28.84 60.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -89.78 151.38 21.84 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.082 -1.011 . . . . 0.0 111.493 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -21.74 64.99 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-O 117.633 -1.648 . . . . 0.0 116.389 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -141.79 159.29 42.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.97 1.885 . . . . 0.0 113.168 -170.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.36 166.9 5.84 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.268 2.227 . . . . 0.0 115.12 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -74.3 120.27 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.393 1.477 . . . . 0.0 113.178 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.7 p -75.55 161.65 28.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.298 1.039 . . . . 0.0 113.161 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -157.19 172.67 18.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.786 1.234 . . . . 0.0 111.878 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.68 -121.28 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.264 1.026 . . . . 0.0 113.341 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -75.44 144.03 42.35 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.652 -1.28 . . . . 0.0 112.828 -171.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.12 136.14 56.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.094 -1.004 . . . . 0.0 111.77 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.09 -15.16 58.77 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.43 1.491 . . . . 0.0 115.023 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -66.49 127.99 34.48 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.711 1.756 . . . . 0.0 109.311 169.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -135.97 -18.0 1.61 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 -168.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.24 -34.19 71.91 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 122.052 2.206 . . . . 0.0 114.374 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -71.31 -55.28 8.35 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.03 -1.043 . . . . 0.0 110.954 170.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.2 m -60.39 -39.78 88.53 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.69 -51.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.154 0.982 . . . . 0.0 110.556 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -66.65 -45.24 79.65 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.109 0.964 . . . . 0.0 111.611 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.34 -39.64 95.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.086 0.857 . . . . 0.0 112.892 173.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.21 -46.73 82.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.704 1.138 . . . . 0.0 111.758 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -77.17 -6.23 52.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -101.08 -23.82 14.41 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.42 1.088 . . . . 0.0 112.81 169.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -76.22 -47.08 25.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.523 1.129 . . . . 0.0 111.612 171.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.48 -168.8 1.5 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.142 1.777 . . . . 0.0 110.164 174.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.63 144.56 13.61 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.98 -14.91 61.52 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 m -69.83 -9.78 56.0 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 160.25 16.9 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -147.61 -174.41 4.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.558 1.943 . . . . 0.0 110.075 171.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.7 -168.05 39.95 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 120.199 -1.563 . . . . 0.0 116.673 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -159.42 169.5 23.8 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.222 1.809 . . . . 0.0 112.177 172.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.01 138.21 32.14 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.222 -0.924 . . . . 0.0 111.347 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -151.98 133.24 14.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.531 1.132 . . . . 0.0 110.09 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.77 45.51 11.4 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.495 1.118 . . . . 0.0 113.67 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.64 22.21 12.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.88 27.29 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.98 -1.075 . . . . 0.0 112.539 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.7 127.39 32.23 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.696 -0.628 . . . . 0.0 112.306 -172.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -110.35 107.71 17.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.101 1.76 . . . . 0.0 109.062 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.4 m -73.65 151.78 40.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.348 1.059 . . . . 0.0 111.097 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -134.24 163.53 29.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.162 1.385 . . . . 0.0 111.021 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.9 m80 61.97 20.54 11.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.952 1.301 . . . . 0.0 113.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.35 158.58 35.69 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.107 1.363 . . . . 0.0 112.409 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.15 160.76 4.68 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.557 1.543 . . . . 0.0 114.207 172.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -58.54 -21.3 52.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.241 1.416 . . . . 0.0 113.184 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -77.2 -5.47 49.33 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.51 143.99 55.88 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.053 0.842 . . . . 0.0 111.853 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.17 140.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 126.254 1.822 . . . . 0.0 110.534 -172.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -108.3 -1.2 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.727 1.211 . . . . 0.0 114.258 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -67.96 141.76 94.75 Favored Pre-proline 0 CA--C 1.554 1.111 0 O-C-N 120.774 -1.204 . . . . 0.0 110.381 167.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -60.65 150.71 80.7 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.564 2.842 . . . . 0.0 114.509 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 141.56 92.13 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.806 1.242 . . . . 0.0 112.686 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -72.46 -16.61 27.41 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.028 2.486 . . . . 0.0 113.175 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -69.17 -67.9 0.44 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.886 1.674 . . . . 0.0 113.269 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.42 149.95 49.85 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.668 1.187 . . . . 0.0 112.892 -174.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? -90.49 133.86 34.76 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.031 1.332 . . . . 0.0 111.687 173.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.21 141.11 40.22 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 173.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -152.39 174.7 13.52 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.218 1.407 . . . . 0.0 111.779 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.551 0 O-C-N 121.227 -0.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -120.76 141.33 50.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.324 1.05 . . . . 0.0 111.81 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.91 171.93 44.9 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 116.301 1.28 . . . . 0.0 116.301 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.72 131.16 45.37 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.235 2.214 . . . . 0.0 112.855 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tp -78.86 120.02 22.89 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.266 -0.896 . . . . 0.0 111.417 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 p -134.74 147.73 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.331 1.053 . . . . 0.0 111.596 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.18 117.47 7.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.41 1.084 . . . . 0.0 112.214 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -57.95 -25.62 61.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 114.038 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -88.36 -41.76 12.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.416 1.086 . . . . 0.0 113.217 -171.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.7 p -140.73 -1.95 1.4 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.93 10.16 79.31 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.137 1.615 . . . . 0.0 117.137 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -58.25 141.21 51.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.502 1.651 . . . . 0.0 113.069 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -81.89 156.68 24.68 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -108.19 99.75 9.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.24 1.016 . . . . 0.0 111.768 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -74.3 162.79 28.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.074 0.95 . . . . 0.0 113.063 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.2 t -156.56 163.59 39.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.396 1.878 . . . . 0.0 111.512 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 179.38 0.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.406 1.882 . . . . 0.0 114.642 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.1 157.03 2.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.697 1.599 . . . . 0.0 111.822 169.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.1 mt -50.28 160.52 0.37 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.959 2.104 . . . . 0.0 114.93 -171.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.24 -38.04 2.01 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 126.236 1.874 . . . . 0.0 115.912 174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -72.83 72.27 1.07 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.479 1.912 . . . . 0.0 111.72 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -90.06 -15.31 32.02 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -168.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -25.05 67.48 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -166.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -69.39 -45.33 69.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.842 0.746 . . . . 0.0 111.005 170.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.0 t -68.42 -33.29 73.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.001 0.92 . . . . 0.0 112.951 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.94 -46.98 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.176 1.353 . . . . 0.0 110.682 170.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -64.07 -45.87 86.82 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.863 0.865 . . . . 0.0 112.158 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.07 -41.81 98.55 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.566 1.076 . . . . 0.0 112.969 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.39 -48.16 80.95 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 111.312 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -80.09 -3.03 47.02 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -103.51 -30.83 10.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.873 1.269 . . . . 0.0 112.587 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -71.33 -51.11 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.272 1.829 . . . . 0.0 110.061 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -103.7 -172.27 2.08 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.814 1.246 . . . . 0.0 109.246 167.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.67 156.24 27.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.696 1.199 . . . . 0.0 114.145 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -54.27 -28.9 44.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -83.11 0.3 45.72 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.21 160.57 31.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.892 0.877 . . . . 0.0 111.946 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -149.46 157.2 43.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.395 1.078 . . . . 0.0 111.902 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.95 -178.37 35.79 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 -171.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -159.17 171.38 20.02 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.382 2.273 . . . . 0.0 111.089 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.75 147.26 27.89 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.131 -0.981 . . . . 0.0 113.269 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -148.31 134.19 19.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.051 1.341 . . . . 0.0 108.852 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.31 39.21 11.82 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.828 1.251 . . . . 0.0 114.018 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.252 77.5 m-85 64.58 24.79 13.09 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.406 1.882 . . . . 0.0 115.513 -177.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.72 151.86 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.431 1.092 . . . . 0.0 113.184 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.37 136.89 38.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.608 1.163 . . . . 0.0 113.291 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -121.8 136.32 54.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.934 2.494 . . . . 0.0 108.957 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -132.05 147.36 52.44 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.509 1.124 . . . . 0.0 111.434 -168.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 p -133.46 163.8 28.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.876 1.67 . . . . 0.0 112.791 -167.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 63.63 25.71 14.38 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.037 1.735 . . . . 0.0 112.629 -168.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.37 138.86 49.52 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.367 1.467 . . . . 0.0 111.304 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.11 25.06 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.56 1.171 . . . . 0.0 113.23 169.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 pm0 -61.51 -18.87 61.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.402 1.081 . . . . 0.0 113.655 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -81.6 5.64 17.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.061 1.345 . . . . 0.0 113.98 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.66 172.43 8.67 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.839 -1.163 . . . . 0.0 113.323 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -140.74 148.97 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.943 1.697 . . . . 0.0 110.619 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.42 156.01 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.022 1.729 . . . . 0.0 110.844 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.0 m95 58.43 177.36 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.343 0 C-N-CA 125.622 1.569 . . . . 0.0 113.146 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -57.66 143.76 94.33 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.71 2.273 . . . . 0.0 113.988 -173.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.7 122.71 69.04 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.265 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.73 -20.28 30.45 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.806 2.338 . . . . 0.0 113.199 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -52.19 -46.82 65.72 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 113.61 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -137.72 172.06 13.52 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.294 2.238 . . . . 0.0 110.708 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -100.31 143.93 29.92 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.626 1.17 . . . . 0.0 112.099 173.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 38.6 t -74.65 128.66 36.11 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.944 0.498 . . . . 0.0 109.807 169.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.15 136.16 55.55 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 118.775 0.716 . . . . 0.0 112.342 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.734 0 O-C-N 120.938 -1.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.7 tttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.084 0.469 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.98 164.85 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.124 2.17 . . . . 0.0 111.464 -173.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.63 155.16 26.25 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.552 0.596 . . . . 0.0 113.333 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -79.46 158.31 27.32 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.037 -1.272 . . . . 0.0 111.2 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -71.89 47.96 0.15 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.101 0.96 . . . . 0.0 112.172 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -75.24 102.22 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.204 -1.56 . . . . 0.0 113.83 -169.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.82 100.72 11.73 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.921 1.289 . . . . 0.0 107.874 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -70.4 -1.07 9.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.395 1.478 . . . . 0.0 114.558 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -65.72 -21.63 66.54 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.806 1.242 . . . . 0.0 112.73 172.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -154.51 156.62 37.0 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.81 3.19 57.16 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.85 151.28 39.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.359 1.579 . . . . 0.0 113.193 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.26 152.04 24.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 110.843 168.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -117.1 75.48 0.98 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 123.27 1.509 . . . . 0.0 111.93 -169.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.2 p -68.27 157.14 36.21 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.946 2.098 . . . . 0.0 113.466 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 p -161.64 -174.01 4.02 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.467 1.507 . . . . 0.0 112.602 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.92 -176.16 1.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.628 1.971 . . . . 0.0 116.301 -169.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.07 157.6 9.96 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.891 1.276 . . . . 0.0 113.023 169.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.79 140.37 42.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.173 0.989 . . . . 0.0 112.254 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.98 -32.14 1.75 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.29 1.424 . . . . 0.0 114.853 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.73 33.43 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.936 -1.332 . . . . 0.0 112.286 171.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.34 30.63 7.06 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -166.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -55.67 -29.43 59.31 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -55.94 -43.69 77.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.759 0.823 . . . . 0.0 112.134 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.23 -35.91 80.55 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.142 -0.974 . . . . 0.0 111.63 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -66.2 -38.68 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.571 1.078 . . . . 0.0 111.326 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -69.84 -39.4 76.46 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.358 1.063 . . . . 0.0 113.809 173.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.68 -34.01 30.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 117.765 -1.112 . . . . 0.0 113.496 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.2 m -64.13 -38.29 90.53 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 121.092 1.769 . . . . 0.0 111.236 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -71.72 -4.81 29.61 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.19 -34.93 6.7 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.266 1.426 . . . . 0.0 112.548 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -68.94 -30.07 68.44 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.981 2.512 . . . . 0.0 112.786 175.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -122.82 -173.09 2.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.0 2.92 . . . . 0.0 108.151 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.47 155.16 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 169.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -56.3 -15.74 4.42 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.333 1.453 . . . . 0.0 114.774 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -75.71 -16.6 60.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.556 1.542 . . . . 0.0 114.69 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 164.47 16.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -169.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -125.17 169.36 12.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.593 2.757 . . . . 0.0 110.021 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.93 167.77 38.24 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 169.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -157.32 171.22 20.79 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.199 0.999 . . . . 0.0 113.448 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.3 m -84.43 59.4 5.4 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.192 0.997 . . . . 0.0 113.427 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -63.04 115.68 4.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.909 0.883 . . . . 0.0 109.999 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.9 49.24 17.14 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 63.47 27.37 15.12 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.9 149.45 32.26 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.823 -1.173 . . . . 0.0 113.134 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.48 111.48 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.926 0.869 . . . . 0.0 113.112 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -110.41 114.63 28.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.281 2.232 . . . . 0.0 108.898 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 m -87.47 141.94 28.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.51 1.124 . . . . 0.0 111.032 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -131.39 164.99 24.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.885 1.274 . . . . 0.0 112.26 -169.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m80 59.86 48.96 8.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.614 1.565 . . . . 0.0 112.457 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.7 mt -105.68 163.04 13.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.978 1.311 . . . . 0.0 113.69 -170.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.64 158.74 11.94 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 169.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.26 -23.75 38.35 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.199 0.999 . . . . 0.0 113.507 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -73.34 -3.12 25.17 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.74 159.48 16.26 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.01 152.47 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.761 1.624 . . . . 0.0 112.165 -175.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.96 160.21 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.592 1.557 . . . . 0.0 114.017 -170.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.257 4.7 m0 57.99 163.53 0.08 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 130.232 3.413 . . . . 0.0 118.175 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -57.74 144.35 93.43 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.925 3.083 . . . . 0.0 113.023 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.28 122.19 41.78 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 123.224 0.609 . . . . 0.0 112.305 -168.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.56 -20.33 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.24 1.96 . . . . 0.0 113.464 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -81.75 -26.8 34.2 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -170.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -115.7 155.04 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.285 1.834 . . . . 0.0 112.07 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 164.17 16.86 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.501 1.521 . . . . 0.0 110.687 169.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.5 t -83.91 136.89 33.92 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.477 1.111 . . . . 0.0 113.572 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -71.05 175.21 5.37 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.559 1.944 . . . . 0.0 113.7 173.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 120.924 -1.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.5 tttt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.98 154.28 21.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.176 0.898 . . . . 0.0 109.466 168.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.13 165.17 30.7 Favored Glycine 0 N--CA 1.469 0.881 0 N-CA-C 117.367 1.707 . . . . 0.0 117.367 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -82.64 172.98 12.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.452 1.501 . . . . 0.0 112.515 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -139.17 107.63 5.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.523 1.129 . . . . 0.0 110.227 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.53 147.57 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.696 1.198 . . . . 0.0 112.118 -172.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -65.0 144.78 57.07 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.072 1.349 . . . . 0.0 111.916 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -81.39 -26.45 35.44 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.388 -1.445 . . . . 0.0 113.14 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.34 -21.88 26.99 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -156.06 165.25 36.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.171 1.788 . . . . 0.0 109.909 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.11 12.05 3.39 Favored Glycine 0 CA--C 1.542 1.754 0 O-C-N 120.638 -1.288 . . . . 0.0 116.162 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.66 129.17 37.24 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.134 1.467 . . . . 0.0 114.742 -170.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 144.59 30.28 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.652 1.581 . . . . 0.0 111.118 169.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.92 116.71 16.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.805 -0.56 . . . . 0.0 111.742 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -76.23 167.92 20.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.483 0.713 . . . . 0.0 112.611 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 t -144.96 138.15 26.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.952 2.101 . . . . 0.0 110.903 177.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.58 -27.08 20.47 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -143.14 132.67 23.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.539 1.536 . . . . 0.0 112.504 176.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.5 mt -75.02 165.63 24.95 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.094 0.958 . . . . 0.0 111.498 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.54 -42.61 2.64 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.662 1.125 . . . . 0.0 114.148 175.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 84.77 1.27 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.037 1.335 . . . . 0.0 110.029 169.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -70.2 -18.53 63.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.375 -1.453 . . . . 0.0 114.386 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -55.11 -39.08 68.96 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -56.67 -51.12 69.97 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.695 0.68 . . . . 0.0 111.677 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.45 -24.79 50.25 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.258 -0.877 . . . . 0.0 113.366 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.7 t -60.8 -47.74 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.06 1.3 . . . . 0.0 110.381 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -58.01 -49.87 75.37 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.925 0.89 . . . . 0.0 112.454 175.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -67.86 -32.2 72.55 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.259 -0.901 . . . . 0.0 112.703 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 t -73.49 -44.74 57.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 120.336 1.426 . . . . 0.0 112.414 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -63.95 -21.66 66.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.64 -36.97 17.16 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.515 0.726 . . . . 0.0 112.299 169.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -59.82 -51.0 71.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.907 1.283 . . . . 0.0 112.422 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.44 -90.75 0.37 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.574 1.55 . . . . 0.0 110.423 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -145.99 153.34 40.66 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.176 1.39 . . . . 0.0 111.343 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -30.11 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -85.27 6.35 26.53 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.362 1.465 . . . . 0.0 114.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.99 165.8 22.68 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -132.41 165.84 23.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.979 1.711 . . . . 0.0 111.885 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.81 -176.91 47.04 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 121.493 -0.755 . . . . 0.0 114.425 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -159.96 178.85 9.31 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.068 1.747 . . . . 0.0 112.139 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.4 m -93.32 140.1 29.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.436 0.694 . . . . 0.0 110.907 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -148.51 136.96 21.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.423 1.889 . . . . 0.0 109.038 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.75 44.27 27.85 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.327 1.051 . . . . 0.0 112.772 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 55.18 29.23 12.3 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.295 1.438 . . . . 0.0 114.494 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.46 163.57 33.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.113 1.365 . . . . 0.0 110.796 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m -71.65 161.33 31.16 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 122.209 1.004 . . . . 0.0 113.216 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -151.83 133.0 14.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.319 2.248 . . . . 0.0 108.198 171.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.6 m -101.73 147.96 25.84 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.45 1.1 . . . . 0.0 110.978 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.9 p -133.3 157.63 44.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.846 0.832 . . . . 0.0 112.682 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.81 26.49 13.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.965 1.306 . . . . 0.0 113.46 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.8 165.19 25.65 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.46 -1.4 . . . . 0.0 112.162 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.42 169.83 5.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.826 1.651 . . . . 0.0 114.617 169.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.99 -20.31 65.17 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.226 -0.921 . . . . 0.0 113.381 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -77.88 5.87 8.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.72 150.09 49.59 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -175.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.67 133.44 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.8 m -134.12 139.34 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.023 0.929 . . . . 0.0 110.927 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 60.28 159.88 0.11 Allowed Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 126.606 1.962 . . . . 0.0 116.177 -175.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.71 164.39 21.48 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.142 3.228 . . . . 0.0 114.877 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.52 124.17 68.27 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 123.931 0.893 . . . . 0.0 111.807 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -85.32 -20.76 3.2 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.564 2.843 . . . . 0.0 114.527 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -96.45 -67.48 0.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -67.46 139.68 57.06 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.128 -0.983 . . . . 0.0 111.111 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -106.87 158.06 17.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.174 1.389 . . . . 0.0 112.319 175.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.4 t -81.44 140.65 34.52 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.59 1.156 . . . . 0.0 113.542 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -124.89 150.21 46.75 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.963 1.705 . . . . 0.0 111.603 173.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 O-C-N 120.928 -1.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.3 tttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -99.97 146.89 26.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 172.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.25 158.34 30.69 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -71.51 158.93 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.827 1.651 . . . . 0.0 112.531 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 tp -67.71 78.22 0.2 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.773 1.229 . . . . 0.0 111.506 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -53.12 151.82 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.787 2.035 . . . . 0.0 113.557 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -152.21 150.66 30.07 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.324 1.05 . . . . 0.0 110.985 171.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -88.2 -25.93 22.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.893 1.277 . . . . 0.0 112.271 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -72.08 -35.66 69.31 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -153.6 152.7 31.17 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.249 1.02 . . . . 0.0 113.124 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.35 -4.21 89.6 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-O 118.45 -1.195 . . . . 0.0 115.128 170.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -77.33 145.88 37.09 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.07 1.935 . . . . 0.0 113.28 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -69.43 124.91 25.12 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.424 1.889 . . . . 0.0 114.892 -174.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -80.18 98.8 7.49 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.851 1.26 . . . . 0.0 111.561 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 p -78.39 157.86 28.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.743 2.017 . . . . 0.0 112.974 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.1 p -154.77 -141.31 0.1 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.195 0.998 . . . . 0.0 113.202 177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 179.24 1.63 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.357 2.663 . . . . 0.0 114.28 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.88 164.67 23.24 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.3 1.048 . . . . 0.0 112.22 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.3 129.99 44.77 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.851 0.834 . . . . 0.0 112.185 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 -18.11 35.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.952 1.263 . . . . 0.0 115.126 -175.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -70.54 139.53 51.56 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.613 1.707 . . . . 0.0 111.651 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -133.1 -21.65 2.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.234 1.813 . . . . 0.0 115.248 -166.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -56.07 -39.73 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -170.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -76.14 -48.96 18.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.858 1.263 . . . . 0.0 112.905 171.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -63.35 -34.5 77.84 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.599 -0.688 . . . . 0.0 112.807 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.25 -43.48 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.316 -0.865 . . . . 0.0 112.003 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -63.48 -36.2 82.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.869 0.868 . . . . 0.0 112.884 -177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.25 -44.83 58.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.842 0.457 . . . . 0.0 112.006 170.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.19 -44.02 97.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.95 1.3 . . . . 0.0 112.003 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.33 -13.71 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.359 1.464 . . . . 0.0 114.897 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -97.69 -33.28 11.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.447 1.099 . . . . 0.0 112.287 171.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -77.32 -45.05 27.43 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -93.02 -88.52 0.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.997 0.919 . . . . 0.0 110.277 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -157.63 164.41 37.26 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.416 1.086 . . . . 0.0 112.097 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.49 -30.9 68.88 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -168.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.1 p -82.43 2.81 30.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 173.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.85 154.09 42.14 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.595 1.089 . . . . 0.0 113.48 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -141.78 152.03 43.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.62 1.968 . . . . 0.0 111.079 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.11 172.79 42.88 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 121.188 -0.945 . . . . 0.0 114.8 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -149.03 168.74 22.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.957 1.303 . . . . 0.0 113.228 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.05 64.35 6.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.499 1.12 . . . . 0.0 112.764 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -67.39 126.95 30.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.946 1.298 . . . . 0.0 110.274 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.39 36.9 14.16 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.879 0.872 . . . . 0.0 113.289 -169.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 64.96 10.78 6.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 116.133 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.77 143.67 50.96 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.374 1.069 . . . . 0.0 112.081 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -66.88 126.96 30.73 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.734 0.778 . . . . 0.0 112.502 -169.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -138.9 116.11 11.07 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.159 1.783 . . . . 0.0 110.307 -168.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.0 m -89.02 154.26 20.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.849 2.06 . . . . 0.0 112.665 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -124.21 161.26 26.1 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.708 2.003 . . . . 0.0 112.349 -168.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 55.76 21.05 4.41 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.532 1.933 . . . . 0.0 115.697 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.53 164.07 26.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.468 1.507 . . . . 0.0 114.952 -170.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.03 168.03 7.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.757 1.623 . . . . 0.0 114.321 168.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -54.69 -24.48 22.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.633 1.973 . . . . 0.0 114.352 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -76.43 2.74 12.8 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.088 1.355 . . . . 0.0 114.564 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.13 157.45 33.63 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.06 150.15 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 126.515 1.926 . . . . 0.0 110.27 -172.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 m -115.0 177.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.747 1.219 . . . . 0.0 112.961 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -50.89 161.22 0.7 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.898 2.079 . . . . 0.0 113.6 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.315 0.1 OUTLIER 41.6 73.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.834 2.356 . . . . 0.0 114.592 -162.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 145.22 99.09 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 126.805 2.042 . . . . 0.0 111.902 -169.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -64.85 -21.65 64.12 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.264 1.976 . . . . 0.0 112.606 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -66.0 -49.68 66.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.374 1.07 . . . . 0.0 113.509 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.32 153.38 25.37 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.593 1.157 . . . . 0.0 112.949 -172.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -107.02 162.18 14.07 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 127.334 2.254 . . . . 0.0 112.365 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.6 t -154.36 153.04 30.95 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.458 1.503 . . . . 0.0 112.018 -177.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -67.74 161.77 25.3 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.888 0.875 . . . . 0.0 113.089 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.543 0 O-C-N 120.465 -1.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.6 tttt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -90.32 173.19 8.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.851 1.261 . . . . 0.0 111.125 169.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.82 160.89 34.63 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 120.855 -1.153 . . . . 0.0 115.523 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -79.48 160.8 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.551 1.141 . . . . 0.0 111.674 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 tp -98.61 113.89 26.12 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.395 0.678 . . . . 0.0 111.079 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -153.22 147.23 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 110.509 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -87.99 132.33 34.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.063 1.345 . . . . 0.0 110.761 170.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -56.16 -21.73 24.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.22 -34.01 75.45 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -161.18 138.02 8.68 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.8 1.182 . . . . 0.0 113.891 -169.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.46 13.16 12.0 Favored Glycine 0 CA--C 1.534 1.271 0 N-CA-C 115.853 1.101 . . . . 0.0 115.853 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 129.93 43.09 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.248 1.524 . . . . 0.0 110.096 169.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -71.82 130.0 40.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.787 1.235 . . . . 0.0 112.033 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -72.54 105.39 4.18 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 p -73.31 160.21 32.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 112.475 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.3 p -141.2 134.0 28.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.225 1.01 . . . . 0.0 110.373 172.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.73 71.68 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -168.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -150.42 139.47 21.06 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.414 1.006 . . . . 0.0 113.082 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 mt -66.68 142.63 57.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.871 1.268 . . . . 0.0 109.432 170.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.57 4.95 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.466 1.031 . . . . 0.0 115.333 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.71 51.14 1.44 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.524 1.662 . . . . 0.0 109.601 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -71.83 -17.01 62.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.405 -1.434 . . . . 0.0 114.64 -169.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.83 -26.79 48.29 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.36 1.064 . . . . 0.0 112.822 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.9 -55.11 16.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.051 0.94 . . . . 0.0 111.815 169.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.8 m -66.14 -29.65 69.98 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.187 -0.946 . . . . 0.0 113.409 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.91 -48.83 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.837 1.199 . . . . 0.0 110.747 172.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -60.98 -52.02 66.77 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -69.68 -28.33 65.77 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.158 -0.964 . . . . 0.0 112.885 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.2 t -70.12 -47.68 60.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.187 0.995 . . . . 0.0 112.002 172.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -67.15 -24.96 65.95 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.64 -19.95 47.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -84.32 -62.02 1.66 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.645 1.178 . . . . 0.0 112.333 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.44 -83.77 0.1 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.408 0.683 . . . . 0.0 111.364 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -155.94 156.22 34.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.563 1.145 . . . . 0.0 111.282 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -54.61 -31.0 56.34 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 m -75.46 -3.42 33.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.52 19.16 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -141.35 167.95 20.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.656 2.382 . . . . 0.0 112.238 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 177.83 46.46 Favored Glycine 0 CA--C 1.536 1.38 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -146.46 167.11 24.46 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.313 1.445 . . . . 0.0 112.84 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.7 t -88.38 130.02 35.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.281 1.032 . . . . 0.0 110.218 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -151.22 128.65 11.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.651 1.18 . . . . 0.0 110.783 -172.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.04 29.69 4.8 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -170.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.256 67.5 m-85 61.68 28.87 17.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.908 1.683 . . . . 0.0 114.913 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.02 149.34 45.97 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.231 1.812 . . . . 0.0 110.287 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.64 141.73 42.75 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.249 -1.532 . . . . 0.0 113.309 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -130.69 121.19 25.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.36 1.864 . . . . 0.0 109.763 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.5 m -86.88 147.06 25.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.507 1.523 . . . . 0.0 112.297 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 p -127.1 158.09 37.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.788 1.235 . . . . 0.0 112.819 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.7 m80 58.14 32.83 22.51 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.276 1.43 . . . . 0.0 113.544 175.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.48 170.54 15.13 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.015 -1.053 . . . . 0.0 111.671 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.5 167.92 1.78 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.371 1.468 . . . . 0.0 113.484 167.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.17 -24.44 59.0 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.542 -1.349 . . . . 0.0 113.18 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -77.41 13.27 1.25 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.131 1.372 . . . . 0.0 114.289 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.52 161.98 16.28 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.714 1.206 . . . . 0.0 113.431 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.5 t -127.93 137.09 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.995 1.718 . . . . 0.0 110.37 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.2 m -94.76 -157.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.489 1.116 . . . . 0.0 112.271 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -53.63 154.46 6.67 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 125.837 1.655 . . . . 0.0 113.972 -175.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.25 154.06 15.28 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.533 2.822 . . . . 0.0 115.289 -172.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.82 137.31 54.26 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.674 171.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -60.78 -22.01 72.07 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.245 2.63 . . . . 0.0 113.535 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.4 -37.79 84.73 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.488 1.515 . . . . 0.0 113.68 171.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -79.83 57.93 2.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.262 1.825 . . . . 0.0 112.511 -174.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -67.41 103.37 1.28 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.802 1.641 . . . . 0.0 112.426 -175.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.23 130.05 41.53 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.51 0.724 . . . . 0.0 112.211 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 56.59 33.69 23.14 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.44 1.896 . . . . 0.0 113.906 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 120.591 -1.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.491 0.186 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -137.0 151.62 49.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.817 1.647 . . . . 0.0 112.327 -168.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.67 168.74 41.52 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 117.57 1.788 . . . . 0.0 117.57 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.11 131.15 43.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.6 1.96 . . . . 0.0 113.12 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.2 tp -83.16 128.11 34.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.81 150.15 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.383 1.873 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -72.47 151.94 42.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.852 0.861 . . . . 0.0 112.368 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.01 -8.55 58.32 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -171.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -129.8 -1.96 4.75 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t -158.8 142.44 15.11 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.752 1.221 . . . . 0.0 109.338 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 12.59 1.25 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 116.417 1.327 . . . . 0.0 116.417 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.5 m -70.4 118.66 13.49 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.092 1.446 . . . . 0.0 113.031 -176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -57.63 149.06 22.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.997 2.519 . . . . 0.0 114.432 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -87.54 105.42 17.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.479 -0.763 . . . . 0.0 110.126 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.7 p -73.16 148.42 43.86 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.006 1.722 . . . . 0.0 114.389 -172.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -125.54 153.17 44.03 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.797 1.639 . . . . 0.0 110.467 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.37 -26.82 13.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.003 1.321 . . . . 0.0 113.708 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -143.26 142.5 31.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.161 2.585 . . . . 0.0 110.037 -174.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -91.06 148.46 22.37 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 0.0 112.632 -169.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 -2.21 48.82 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 115.155 0.822 . . . . 0.0 115.155 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -72.01 158.23 36.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.849 1.66 . . . . 0.0 112.159 169.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -143.69 -28.52 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.31 -39.55 67.1 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.979 1.718 . . . . 0.0 113.086 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -68.88 -54.93 12.83 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.775 1.23 . . . . 0.0 112.779 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.83 -33.86 66.44 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -169.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.58 -46.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.391 0.996 . . . . 0.0 111.044 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -59.5 -54.59 44.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.163 0.985 . . . . 0.0 112.26 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -67.36 -28.67 68.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 112.953 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.05 -46.82 55.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.252 0.621 . . . . 0.0 112.371 172.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -68.27 -23.36 64.76 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.108 -0.995 . . . . 0.0 113.193 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.35 -25.35 46.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.912 0.885 . . . . 0.0 113.133 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -75.46 -49.33 19.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.103 0.865 . . . . 0.0 112.591 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.39 -69.72 0.83 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -170.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -169.69 158.58 7.66 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.793 1.237 . . . . 0.0 111.401 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -30.6 14.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.682 1.993 . . . . 0.0 115.581 -177.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -89.74 4.47 49.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 114.406 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.52 150.55 25.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.668 0.787 . . . . 0.0 110.883 170.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -135.59 175.51 9.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.811 1.244 . . . . 0.0 110.398 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.66 172.2 45.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.202 -0.936 . . . . 0.0 114.477 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -148.0 166.97 26.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.917 1.287 . . . . 0.0 112.475 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.1 m -85.07 126.98 34.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.64 0.776 . . . . 0.0 112.875 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -148.97 136.96 20.72 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.588 2.355 . . . . 0.0 109.744 -174.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.83 33.99 9.52 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.261 98.3 m-85 55.48 33.43 20.98 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.55 1.94 . . . . 0.0 114.654 -173.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.68 166.83 23.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.53 1.932 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 t -84.99 132.54 34.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.501 1.12 . . . . 0.0 111.846 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -123.52 114.06 19.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.48 1.912 . . . . 0.0 109.651 -175.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.0 m -80.79 153.28 27.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.192 1.397 . . . . 0.0 112.977 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.1 p -134.48 168.96 17.99 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.887 2.075 . . . . 0.0 110.98 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m80 64.38 24.21 13.17 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.02 1.328 . . . . 0.0 114.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.73 136.05 40.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.374 1.47 . . . . 0.0 114.1 -173.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 162.58 26.98 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.939 0.896 . . . . 0.0 111.261 166.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -58.45 -25.69 62.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.145 -0.972 . . . . 0.0 112.382 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -76.05 -0.19 20.9 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.955 1.302 . . . . 0.0 114.315 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.72 173.15 6.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.706 1.202 . . . . 0.0 113.642 176.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -114.27 116.85 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.898 1.279 . . . . 0.0 108.871 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.32 -28.05 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -170.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -75.21 164.67 59.66 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.215 0.606 . . . . 0.0 111.108 168.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.86 151.11 79.71 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.763 2.309 . . . . 0.0 111.995 172.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 tp -72.48 117.69 61.14 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.168 0.895 . . . . 0.0 111.268 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -77.94 -16.79 14.14 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.613 2.209 . . . . 0.0 112.56 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.94 -57.07 8.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.306 1.043 . . . . 0.0 112.3 -171.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -148.82 144.01 26.69 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.99 1.316 . . . . 0.0 112.847 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 154.59 40.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.807 1.243 . . . . 0.0 111.128 172.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.91 152.43 45.69 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -79.99 70.45 6.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.947 2.099 . . . . 0.0 112.051 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.611 0 O-C-N 120.921 -1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.1 tttt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.83 148.7 39.63 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.649 1.58 . . . . 0.0 111.253 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.17 169.94 41.74 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.16 135.57 33.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.444 1.098 . . . . 0.0 111.169 -175.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -83.31 110.55 18.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.978 0.894 . . . . 0.0 111.483 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.94 156.46 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 126.192 1.797 . . . . 0.0 109.928 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.47 151.14 45.45 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -176.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -69.49 -26.76 64.71 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.12 -0.988 . . . . 0.0 113.177 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -97.58 -19.81 18.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -158.31 160.45 37.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.628 1.171 . . . . 0.0 112.108 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.23 11.42 8.57 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.331 -1.481 . . . . 0.0 116.088 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.47 116.83 7.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.682 1.193 . . . . 0.0 112.681 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -63.83 150.61 44.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.976 1.71 . . . . 0.0 112.395 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -104.58 106.2 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.999 0.92 . . . . 0.0 110.732 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.5 p -78.69 158.39 28.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.581 1.152 . . . . 0.0 113.872 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -112.65 139.38 48.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.874 1.67 . . . . 0.0 111.082 173.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.04 63.69 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.249 1.019 . . . . 0.0 112.475 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -148.55 148.12 29.82 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.88 1.272 . . . . 0.0 112.555 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.73 158.26 36.44 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.748 0.785 . . . . 0.0 110.65 168.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -15.91 9.41 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.42 127.36 31.6 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.804 1.802 . . . . 0.0 111.02 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -93.33 -68.46 0.8 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.018 0.927 . . . . 0.0 110.735 171.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -65.31 -20.96 66.64 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -58.36 -45.59 87.92 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.637 1.175 . . . . 0.0 111.273 169.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.2 t -81.58 -38.54 25.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.275 1.03 . . . . 0.0 111.457 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.94 -39.91 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.416 1.007 . . . . 0.0 110.93 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -56.22 -43.2 78.33 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.307 1.043 . . . . 0.0 112.382 173.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.85 -47.38 62.9 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.235 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.0 -47.13 87.1 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.708 0.803 . . . . 0.0 111.226 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -2.04 18.11 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.309 1.444 . . . . 0.0 114.457 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.98 -33.49 5.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.685 1.594 . . . . 0.0 113.299 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -75.2 -35.65 61.5 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.551 1.54 . . . . 0.0 112.245 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.05 -173.81 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.488 2.315 . . . . 0.0 109.595 174.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.78 148.64 2.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 170.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.87 -19.76 65.32 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.783 -1.198 . . . . 0.0 113.531 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -71.65 -3.99 24.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.841 1.256 . . . . 0.0 114.266 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.26 152.93 44.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.693 1.133 . . . . 0.0 113.628 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -131.03 -178.07 4.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.729 1.612 . . . . 0.0 110.819 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.46 -176.27 42.29 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-N 119.998 1.272 . . . . 0.0 116.162 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -163.08 171.45 16.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.826 2.05 . . . . 0.0 112.372 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.23 124.34 33.21 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.946 -1.096 . . . . 0.0 113.205 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.84 143.47 29.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.852 2.461 . . . . 0.0 108.941 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.84 34.21 21.5 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 120.021 1.282 . . . . 0.0 113.3 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 49.79 33.61 6.56 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.513 1.925 . . . . 0.0 114.177 -170.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.23 160.71 41.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.16 1.384 . . . . 0.0 112.082 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.35 115.2 14.75 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.432 -0.792 . . . . 0.0 112.216 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -99.92 106.14 17.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.878 2.071 . . . . 0.0 109.382 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.76 147.06 27.82 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.732 0.777 . . . . 0.0 111.683 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -135.69 169.73 17.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.914 1.685 . . . . 0.0 111.233 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 m80 64.08 22.77 13.02 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.325 1.45 . . . . 0.0 113.949 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 mt -83.13 166.02 19.02 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.914 1.685 . . . . 0.0 113.635 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -60.54 163.17 5.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.036 1.734 . . . . 0.0 113.533 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -61.82 -14.37 32.64 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -91.76 5.76 48.57 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 157.91 33.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 t -126.66 146.14 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.22 1.408 . . . . 0.0 112.782 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -80.47 -154.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.339 1.456 . . . . 0.0 113.177 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -62.04 140.81 95.87 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.79 1.636 . . . . 0.0 115.284 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -67.0 161.49 42.38 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.468 2.779 . . . . 0.0 111.422 168.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.86 152.06 96.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.207 -0.933 . . . . 0.0 112.311 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -60.69 -17.79 51.58 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.288 2.658 . . . . 0.0 113.069 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -54.4 -33.25 58.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.378 1.871 . . . . 0.0 113.058 168.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -80.86 71.66 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.902 1.281 . . . . 0.0 111.87 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -63.38 -8.59 9.28 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 127.057 2.143 . . . . 0.0 115.556 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.2 t -62.08 132.13 51.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.684 1.194 . . . . 0.0 112.851 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.54 1.2 50.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -174.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 O-C-N 120.844 -1.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.9 tttt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -130.0 163.8 25.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.788 1.235 . . . . 0.0 112.012 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.05 140.11 5.78 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -58.54 138.0 57.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.396 1.479 . . . . 0.0 112.555 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.5 tp -79.38 120.82 24.35 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.093 -1.004 . . . . 0.0 111.194 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.95 147.94 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.63 1.572 . . . . 0.0 110.563 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -80.87 142.26 33.79 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -70.89 -10.35 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -176.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.74 -35.24 0.8 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.281 1.032 . . . . 0.0 111.294 -174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -81.67 -24.37 36.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.204 1.001 . . . . 0.0 113.027 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.34 11.51 56.25 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.33 154.36 20.38 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.052 1.426 . . . . 0.0 114.202 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.99 161.58 8.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.213 2.205 . . . . 0.0 114.066 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -124.93 101.71 7.19 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.056 1.342 . . . . 0.0 110.279 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.2 p -81.57 149.01 28.84 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.63 173.9 16.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.229 1.412 . . . . 0.0 112.703 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.62 159.7 21.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.211 1.404 . . . . 0.0 112.8 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -53.66 123.67 12.9 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.8 mt 45.98 -110.11 0.24 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.434 1.893 . . . . 0.0 114.425 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -5.96 30.53 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.966 2.698 . . . . 0.0 116.233 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -78.61 41.2 0.4 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.265 2.033 . . . . 0.0 110.827 169.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -72.63 13.89 0.31 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.851 3.261 . . . . 0.0 117.165 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -58.84 -34.57 71.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -81.14 -39.09 26.12 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.445 1.098 . . . . 0.0 112.094 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.58 -47.16 82.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.189 0.996 . . . . 0.0 113.042 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.89 -37.76 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 121.287 -0.883 . . . . 0.0 111.557 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -66.3 -26.03 67.13 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.954 1.302 . . . . 0.0 114.21 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.1 -50.36 13.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.626 1.103 . . . . 0.0 110.756 167.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.55 -42.91 83.9 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.636 -0.665 . . . . 0.0 112.225 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -77.96 -6.92 55.97 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.6 mt -108.18 -23.37 11.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.242 1.017 . . . . 0.0 113.417 171.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -71.11 -49.62 42.33 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.762 1.625 . . . . 0.0 111.505 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -104.62 -167.52 1.36 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.207 1.803 . . . . 0.0 110.351 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 150.99 3.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.783 1.233 . . . . 0.0 114.064 167.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.21 -16.6 54.31 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -78.38 0.56 25.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.936 1.695 . . . . 0.0 114.519 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.31 165.12 16.98 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.382 0.992 . . . . 0.0 113.571 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -141.24 -176.56 4.75 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.138 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.94 170.42 37.98 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.115 -0.991 . . . . 0.0 114.906 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.36 168.67 19.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.337 1.455 . . . . 0.0 112.915 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -97.77 67.43 1.99 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 112.204 -169.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.55 122.03 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.201 1.401 . . . . 0.0 110.63 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.54 46.05 23.74 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.276 1.03 . . . . 0.0 113.197 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 60.18 19.81 9.16 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.142 1.777 . . . . 0.0 114.864 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.62 145.64 48.81 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.507 1.123 . . . . 0.0 112.36 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.16 130.79 43.03 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.068 0.937 . . . . 0.0 112.852 -169.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -132.0 109.31 9.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.977 2.511 . . . . 0.0 107.989 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -80.26 143.65 33.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.557 0.743 . . . . 0.0 112.014 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.4 p -138.72 171.42 14.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.8 1.64 . . . . 0.0 111.89 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.2 m80 59.18 34.18 23.07 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.374 1.07 . . . . 0.0 112.603 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.4 mt -92.56 151.8 19.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.272 1.429 . . . . 0.0 113.057 -173.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.09 171.25 11.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.754 2.422 . . . . 0.0 114.498 169.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.08 -26.8 61.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.186 0.995 . . . . 0.0 113.229 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -75.35 -0.97 21.61 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 140.89 34.06 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.047 1.294 . . . . 0.0 110.153 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.6 -63.25 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.28 15.6 t 61.62 -102.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 126.9 2.08 . . . . 0.0 114.689 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.8 m-90 -57.13 -32.43 13.33 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -64.52 4.77 0.53 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.677 2.918 . . . . 0.0 117.139 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.52 153.09 62.93 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.941 1.297 . . . . 0.0 112.097 169.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.51 -21.92 11.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.468 2.778 . . . . 0.0 115.518 -171.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -131.65 -63.63 0.82 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.253 1.388 . . . . 0.0 112.906 -174.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.358 0.0 OUTLIER 40.31 28.74 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 119.538 3.162 . . . . 0.0 119.538 177.62 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 124.875 1.27 . . . . 0.0 110.15 169.389 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.9 tttt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -87.0 171.19 10.94 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.181 0.992 . . . . 0.0 112.058 170.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.38 -179.21 44.85 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.173 0.892 . . . . 0.0 114.377 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -120.76 129.73 53.73 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.035 -1.273 . . . . 0.0 110.792 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -70.4 117.36 11.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.578 0.626 . . . . 0.0 111.69 -172.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 p -155.04 145.78 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 126.634 1.973 . . . . 0.0 109.356 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.81 110.88 14.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.339 -0.851 . . . . 0.0 109.818 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -59.47 -26.38 65.19 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -79.46 -44.09 22.0 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.057 -1.027 . . . . 0.0 111.769 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 p -144.5 104.34 4.05 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.558 1.943 . . . . 0.0 108.076 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.76 58.29 0.51 Allowed Glycine 0 N--CA 1.468 0.822 0 C-N-CA 126.859 2.171 . . . . 0.0 117.9 -166.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 144.84 56.43 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.031 0.915 . . . . 0.0 112.18 170.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -73.3 146.65 45.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.499 1.119 . . . . 0.0 112.546 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.27 89.1 2.99 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.435 1.494 . . . . 0.0 108.94 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 p -76.0 166.11 23.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.631 1.972 . . . . 0.0 114.228 -168.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -127.19 142.09 51.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.294 1.438 . . . . 0.0 110.166 168.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.23 -36.51 61.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.54 1.136 . . . . 0.0 112.467 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -151.77 168.08 26.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.485 1.514 . . . . 0.0 112.196 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.8 158.33 32.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.473 -0.767 . . . . 0.0 111.421 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.85 -2.61 54.29 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 116.584 1.393 . . . . 0.0 116.584 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.93 56.23 3.65 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.802 1.801 . . . . 0.0 110.448 169.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -60.89 -33.0 72.44 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.934 0.894 . . . . 0.0 111.766 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.01 -39.93 56.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.511 1.925 . . . . 0.0 113.826 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.19 -48.04 74.82 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.935 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 t -70.25 -33.45 71.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.917 0.887 . . . . 0.0 113.027 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.69 -49.83 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.818 0.847 . . . . 0.0 110.084 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.3 mtm-85 -62.1 -49.01 77.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.139 0.576 . . . . 0.0 112.266 174.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -60.27 -40.77 91.55 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.891 1.223 . . . . 0.0 113.649 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.58 -47.9 65.59 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.85 0.75 . . . . 0.0 111.325 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -71.3 -22.89 61.89 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.5 mt -80.63 -16.26 54.52 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 170.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -91.69 -33.81 14.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.178 0.991 . . . . 0.0 113.548 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -115.15 -76.83 0.57 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.931 0.892 . . . . 0.0 113.226 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.53 152.45 23.67 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.691 1.597 . . . . 0.0 110.897 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -62.4 -25.95 68.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -168.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -74.3 -9.46 58.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.48 158.9 32.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -135.68 177.85 7.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.959 2.104 . . . . 0.0 110.831 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.65 -175.91 47.66 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 114.951 0.741 . . . . 0.0 114.951 173.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.71 161.48 42.51 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.854 1.662 . . . . 0.0 112.426 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.1 132.29 35.11 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.321 -0.862 . . . . 0.0 111.731 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -154.61 140.66 18.37 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.094 0.958 . . . . 0.0 111.472 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.2 43.59 22.79 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 118.982 0.81 . . . . 0.0 112.951 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 58.7 27.92 16.56 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.65 2.38 . . . . 0.0 115.304 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.4 160.41 43.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.759 1.223 . . . . 0.0 112.525 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.75 123.43 31.9 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.006 -1.059 . . . . 0.0 112.506 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -102.06 129.98 48.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 109.165 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.74 150.36 20.47 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 112.432 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -139.91 167.55 21.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.213 1.405 . . . . 0.0 111.779 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.9 m80 62.94 8.97 3.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.787 2.435 . . . . 0.0 116.074 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.21 158.49 11.37 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.212 1.805 . . . . 0.0 112.452 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -56.55 148.9 18.48 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.98 -9.48 21.89 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -105.28 4.12 30.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 130.19 43.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.43 1.014 . . . . 0.0 113.024 -173.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 p -153.49 58.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 124.029 1.871 . . . . 0.0 110.604 -169.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.01 -30.11 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.679 1.592 . . . . 0.0 112.654 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.344 4.2 m-90 -80.01 -160.37 0.02 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 125.92 1.688 . . . . 0.0 115.156 -166.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.26 0.1 OUTLIER 36.21 64.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.093 2.529 . . . . 0.0 115.378 -161.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.67 127.43 92.63 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.005 0.922 . . . . 0.0 112.419 -173.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -71.31 -16.27 31.33 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.403 2.736 . . . . 0.0 115.007 -174.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -130.95 -26.38 2.18 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tptm 64.34 -29.23 0.1 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 119.293 3.072 . . . . 0.0 119.293 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 126.253 1.821 . . . . 0.0 112.509 174.685 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 93.2 mttt . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 120.585 0.231 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -126.26 138.39 53.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.169 1.388 . . . . 0.0 109.117 169.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.63 -169.49 40.05 Favored Glycine 0 N--CA 1.47 0.905 0 N-CA-C 115.513 0.965 . . . . 0.0 115.513 -172.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -70.2 140.25 52.46 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.81 94.35 2.75 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 105.385 -2.08 . . . . 0.0 105.385 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.98 131.26 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.112 0.965 . . . . 0.0 111.969 -169.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -75.85 97.49 3.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.489 1.116 . . . . 0.0 110.504 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -26.53 55.07 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -72.23 -7.11 47.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.108 1.763 . . . . 0.0 115.157 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -147.63 -21.33 0.37 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.7 84.57 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.038 1.304 . . . . 0.0 114.891 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -76.88 141.49 40.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.989 0.894 . . . . 0.0 111.249 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' CD ' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -86.34 143.65 27.76 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 176.69 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -71.33 116.27 11.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.008 0.923 . . . . 0.0 109.911 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -75.14 165.25 25.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.115 1.366 . . . . 0.0 114.015 -173.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.5 m -120.38 141.23 50.28 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.576 1.55 . . . . 0.0 111.396 169.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.89 -17.8 58.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.693 1.197 . . . . 0.0 113.202 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -141.35 147.65 38.42 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.827 1.651 . . . . 0.0 113.127 173.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.88 154.47 28.34 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.148 . . . . 0.0 110.427 168.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.35 -12.61 1.77 Allowed Glycine 0 CA--C 1.539 1.592 0 N-CA-C 116.461 1.345 . . . . 0.0 116.461 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.49 140.07 48.01 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.627 -1.514 . . . . 0.0 110.112 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -111.12 -37.24 5.4 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.108 1.363 . . . . 0.0 112.934 -174.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -55.28 -45.64 76.17 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.7 -47.45 78.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.599 -0.688 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.62 -39.55 84.72 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.657 -0.687 . . . . 0.0 112.152 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.88 -48.17 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.322 1.419 . . . . 0.0 111.64 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.9 mtm-85 -62.6 -33.51 75.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.899 0.88 . . . . 0.0 113.183 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.48 -39.29 38.79 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -60.16 -49.71 76.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.471 1.032 . . . . 0.0 110.219 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -69.91 -7.0 36.68 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.9 mt -95.85 -37.17 10.84 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 0.0 113.045 169.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -81.27 -23.24 38.08 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -121.79 -171.12 2.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.005 2.122 . . . . 0.0 110.617 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -53.58 148.48 9.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.933 1.693 . . . . 0.0 112.623 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -62.95 -22.88 67.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.853 -1.154 . . . . 0.0 114.019 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -79.79 4.22 17.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.52 153.47 42.17 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.719 1.145 . . . . 0.0 114.06 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -140.29 164.51 29.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.822 2.049 . . . . 0.0 111.411 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.69 -174.97 41.04 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -157.74 171.15 20.83 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.901 2.08 . . . . 0.0 112.347 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.1 m -92.66 126.15 37.62 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -151.1 147.29 26.89 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.922 2.089 . . . . 0.0 110.179 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.65 36.67 14.52 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 61.06 19.55 10.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.556 1.943 . . . . 0.0 114.893 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.02 161.91 34.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.737 1.615 . . . . 0.0 112.269 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.9 t -77.99 129.76 35.68 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.707 0.765 . . . . 0.0 111.012 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -118.96 112.2 19.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.401 2.28 . . . . 0.0 109.526 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.6 m -99.36 146.34 26.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.46 0.704 . . . . 0.0 111.359 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.56 151.34 35.08 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.378 1.071 . . . . 0.0 112.679 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.7 m80 64.05 24.65 13.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.911 1.684 . . . . 0.0 114.914 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.34 163.47 18.07 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.372 1.469 . . . . 0.0 112.256 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.19 1.76 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.153 1.781 . . . . 0.0 114.66 172.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.7 -16.19 36.86 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -75.2 -9.04 58.19 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.47 156.41 38.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.047 0.927 . . . . 0.0 113.448 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -157.81 156.47 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 111.591 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -86.08 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.184 0.994 . . . . 0.0 109.056 167.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -66.99 -31.57 4.03 Favored Pre-proline 0 CA--C 1.56 1.353 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -87.16 54.12 2.8 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 123.267 2.645 . . . . 0.0 113.726 -170.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.22 129.54 79.59 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.858 1.263 . . . . 0.0 111.519 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.28 -25.02 31.21 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.527 2.151 . . . . 0.0 114.113 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -79.69 -44.22 21.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -169.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -145.81 160.21 42.09 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.159 2.184 . . . . 0.0 110.457 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 125.064 1.346 . . . . 0.0 113.069 -171.494 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.2 tttt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -135.59 144.11 45.99 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.305 1.442 . . . . 0.0 111.335 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.32 179.49 43.09 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 116.861 1.504 . . . . 0.0 116.861 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -73.75 128.55 35.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.967 1.707 . . . . 0.0 112.891 -174.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -77.72 121.66 24.32 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.485 -0.759 . . . . 0.0 112.367 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.54 150.5 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.828 1.251 . . . . 0.0 112.265 -171.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.88 111.65 12.64 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.131 -0.981 . . . . 0.0 111.046 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -59.73 -27.97 66.95 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -81.49 -54.97 4.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.028 0.931 . . . . 0.0 112.473 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 p -112.0 -3.55 14.76 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.54 78.78 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.254 1.407 . . . . 0.0 116.458 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.5 m -63.73 140.88 58.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.22 1.51 . . . . 0.0 113.647 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -89.04 140.17 29.71 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.999 1.319 . . . . 0.0 111.058 168.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -97.26 97.86 9.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.367 0.667 . . . . 0.0 111.622 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -73.68 152.36 40.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.452 1.501 . . . . 0.0 113.288 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -147.99 147.58 29.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.643 1.577 . . . . 0.0 110.479 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.73 -48.27 5.01 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -87.86 111.07 21.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.844 0.858 . . . . 0.0 110.732 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.3 mt -77.78 149.86 34.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.32 2.248 . . . . 0.0 112.965 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.43 -25.37 0.59 Allowed Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.526 1.536 . . . . 0.0 114.854 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.52 148.3 49.66 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.725 1.61 . . . . 0.0 112.815 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -110.54 -10.65 14.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.964 1.306 . . . . 0.0 113.884 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.68 -32.69 59.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 114.9 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -96.27 -39.45 9.65 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.917 1.287 . . . . 0.0 113.377 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.17 -23.39 41.09 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -170.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.05 -44.36 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.521 1.51 . . . . 0.0 111.23 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -58.58 -49.58 76.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.622 0.769 . . . . 0.0 112.244 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -62.24 -43.66 98.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.99 0.814 . . . . 0.0 111.711 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.6 t -60.21 -45.78 92.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.596 1.158 . . . . 0.0 111.843 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.23 -21.77 45.74 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.0 mt -81.48 -38.36 26.47 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.603 1.161 . . . . 0.0 112.155 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -69.94 -43.49 71.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.942 0.792 . . . . 0.0 112.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -106.44 -83.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.042 0.937 . . . . 0.0 112.999 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -150.54 148.41 28.65 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.806 1.242 . . . . 0.0 110.852 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -63.41 -22.22 66.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 -167.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -87.97 6.92 33.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.137 1.375 . . . . 0.0 114.485 173.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.5 166.31 22.91 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.876 -1.14 . . . . 0.0 112.765 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -149.09 148.72 30.01 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.798 1.239 . . . . 0.0 111.25 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.48 171.76 40.06 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 119.544 1.066 . . . . 0.0 115.015 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -148.53 171.15 16.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.885 1.274 . . . . 0.0 112.719 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.5 t -86.99 124.06 32.77 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -146.56 131.58 18.23 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.32 1.448 . . . . 0.0 111.672 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.82 46.38 24.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.102 1.361 . . . . 0.0 112.763 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.471 1.908 . . . . 0.0 115.665 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.96 157.83 44.09 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.869 -1.144 . . . . 0.0 112.109 170.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 130.95 41.46 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.336 -0.852 . . . . 0.0 111.584 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -102.72 136.1 43.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.538 2.335 . . . . 0.0 108.453 170.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.2 t -129.31 144.39 51.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.816 1.246 . . . . 0.0 110.866 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.3 p -127.14 171.77 11.12 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.349 1.46 . . . . 0.0 114.093 -167.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 62.37 28.89 17.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.221 2.208 . . . . 0.0 114.011 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -72.97 138.99 46.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.665 1.186 . . . . 0.0 113.179 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.21 150.87 40.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 166.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.72 -15.7 59.19 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.624 -1.298 . . . . 0.0 113.509 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -78.24 -5.13 50.99 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.02 151.23 45.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.325 1.05 . . . . 0.0 112.78 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -97.28 123.5 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.114 0.966 . . . . 0.0 110.626 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.8 -40.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.567 1.547 . . . . 0.0 112.472 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -69.93 145.97 94.79 Favored Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 121.132 -0.98 . . . . 0.0 112.744 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.94 141.74 66.29 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.512 2.808 . . . . 0.0 115.411 -171.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.33 155.24 84.07 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.217 1.007 . . . . 0.0 111.694 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.44 -30.06 5.52 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.908 2.406 . . . . 0.0 113.683 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -97.4 -50.31 4.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.727 0.811 . . . . 0.0 111.108 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 52.34 24.42 2.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.545 3.138 . . . . 0.0 117.303 170.547 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 125.764 1.625 . . . . 0.0 110.269 176.818 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.3 tttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.92 169.07 18.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.952 0.901 . . . . 0.0 113.314 -167.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.15 160.13 23.02 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.64 147.21 52.22 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.006 1.322 . . . . 0.0 111.276 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -80.21 132.46 35.88 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.789 -1.194 . . . . 0.0 112.29 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.0 151.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.61 1.164 . . . . 0.0 111.875 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.19 155.56 34.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 122.579 1.181 . . . . 0.0 112.921 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -72.98 -30.59 63.94 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.848 -1.157 . . . . 0.0 111.249 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -85.79 -23.77 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -158.84 156.64 30.04 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.002 -1.061 . . . . 0.0 112.901 -173.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.03 10.36 20.37 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.942 1.258 . . . . 0.0 115.659 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.2 m -71.07 133.9 46.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.879 1.339 . . . . 0.0 113.689 -171.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.97 155.05 39.6 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.597 1.559 . . . . 0.0 113.298 172.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.64 101.76 9.4 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 110.013 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 p -77.64 143.74 37.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 113.114 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.5 m -98.51 149.75 22.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.671 1.188 . . . . 0.0 108.86 169.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.65 -26.11 62.41 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -143.58 152.35 41.3 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.591 1.956 . . . . 0.0 111.442 169.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD21 ' H ' ' A' ' 44' ' ' PHE . 85.2 mt -61.98 136.01 57.79 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 167.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.63 5.82 89.22 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -76.6 50.03 0.65 Allowed 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.439 2.12 . . . . 0.0 112.297 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -56.94 -37.39 71.47 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.957 1.303 . . . . 0.0 113.869 -166.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.27 59.19 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.397 1.479 . . . . 0.0 113.843 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -75.39 -46.84 30.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.779 1.232 . . . . 0.0 111.655 170.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -65.1 -37.25 86.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.163 -0.96 . . . . 0.0 112.528 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.36 -48.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.041 0.937 . . . . 0.0 110.773 173.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -57.45 -58.12 9.69 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.001 1.321 . . . . 0.0 112.096 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.07 -35.51 79.98 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -174.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.3 t -66.47 -47.38 73.28 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.364 0.983 . . . . 0.0 111.303 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.38 -21.78 61.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.6 mt -79.92 -35.3 38.06 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.495 170.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -78.93 -48.19 15.02 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -95.61 -75.1 0.53 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.368 1.067 . . . . 0.0 111.578 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -161.19 153.63 20.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.132 0.973 . . . . 0.0 112.3 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -58.67 -26.86 64.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -92.24 6.34 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 150.21 49.28 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.185 0.902 . . . . 0.0 112.969 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -121.59 179.22 4.53 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.129 1.772 . . . . 0.0 109.868 171.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.46 -178.94 48.34 Favored Glycine 0 CA--C 1.533 1.203 0 O-C-N 121.111 -0.993 . . . . 0.0 115.073 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -152.55 168.1 26.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.82 2.048 . . . . 0.0 112.589 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -101.87 121.23 41.71 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.254 1.022 . . . . 0.0 111.269 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -151.93 147.04 26.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.021 1.729 . . . . 0.0 109.856 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.21 40.23 25.57 Favored 'General case' 0 CA--C 1.551 1.009 0 O-C-N 121.002 -1.061 . . . . 0.0 112.52 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.418 ' H ' HD21 ' A' ' 19' ' ' LEU . 30.4 m-85 57.49 8.72 0.66 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.878 2.871 . . . . 0.0 116.891 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.9 160.95 34.23 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.765 1.226 . . . . 0.0 113.404 -173.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.8 129.09 37.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -122.14 117.94 27.48 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.746 2.018 . . . . 0.0 109.787 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.1 m -80.29 149.5 30.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.009 1.324 . . . . 0.0 112.829 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.0 p -132.95 162.43 31.66 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.997 1.719 . . . . 0.0 112.566 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 58.76 30.44 20.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.966 1.706 . . . . 0.0 113.968 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.26 151.06 44.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.442 1.497 . . . . 0.0 114.077 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.28 154.6 37.73 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.147 0.975 . . . . 0.0 111.568 166.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -60.44 -16.75 39.17 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.817 -1.177 . . . . 0.0 113.184 174.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.09 -8.68 59.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.22 1.408 . . . . 0.0 114.146 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 151.26 46.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.646 1.179 . . . . 0.0 113.958 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.81 134.67 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.245 1.418 . . . . 0.0 112.225 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 -61.77 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.083 1.353 . . . . 0.0 113.456 -169.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -83.0 -30.34 0.48 Allowed Pre-proline 0 N--CA 1.48 1.055 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -70.47 16.68 0.25 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.444 3.429 . . . . 0.0 116.94 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.43 117.9 45.2 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 119.592 1.087 . . . . 0.0 109.552 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.04 -26.5 10.79 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 121.998 1.799 . . . . 0.0 114.786 -169.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -142.51 -32.5 0.49 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 117.589 2.44 . . . . 0.0 117.589 -166.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -66.25 105.54 1.44 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.452 1.024 . . . . 0.0 111.981 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 C-N-CA 126.301 1.84 . . . . 0.0 112.361 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.594 0.235 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.64 160.71 31.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.431 1.493 . . . . 0.0 110.607 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.2 173.1 39.98 Favored Glycine 0 N--CA 1.47 0.902 0 O-C-N 120.951 -1.093 . . . . 0.0 114.016 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -74.9 148.39 40.17 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -76.39 143.73 40.5 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 110.845 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.95 153.42 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.321 1.448 . . . . 0.0 111.484 -170.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.15 157.44 13.18 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.326 1.05 . . . . 0.0 112.661 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -93.44 -10.92 33.45 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.855 1.262 . . . . 0.0 114.156 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -111.88 -44.8 3.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.762 1.225 . . . . 0.0 113.446 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 p -107.37 163.08 13.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.512 1.125 . . . . 0.0 112.672 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.28 9.79 5.32 Favored Glycine 0 CA--C 1.54 1.632 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.0 m -78.36 123.05 26.56 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.063 1.432 . . . . 0.0 112.565 -174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -66.99 158.92 29.73 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.364 1.065 . . . . 0.0 111.88 168.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.42 112.38 12.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 110.74 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.8 p -81.64 145.73 30.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.823 0.849 . . . . 0.0 112.547 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.6 m -114.25 158.26 21.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.124 1.769 . . . . 0.0 111.205 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.27 -34.53 14.21 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -146.87 158.66 43.98 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.291 1.436 . . . . 0.0 112.948 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.41 155.45 37.4 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.69 -0.07 82.93 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.755 -1.216 . . . . 0.0 115.549 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -90.5 29.07 1.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.188 1.395 . . . . 0.0 111.17 167.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -52.8 -29.91 30.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.463 2.705 . . . . 0.0 115.867 -167.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.12 -20.46 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.819 1.19 . . . . 0.0 113.102 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -56.5 -52.49 64.54 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.37 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -72.77 -29.81 63.61 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.55 -52.72 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.989 0.813 . . . . 0.0 110.176 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 ttp-105 -61.78 -57.87 10.19 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 125.467 1.507 . . . . 0.0 113.109 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.47 -30.74 71.56 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.315 -0.865 . . . . 0.0 112.783 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -74.13 -44.53 53.41 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.765 0.711 . . . . 0.0 112.106 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -22.33 63.5 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -78.2 -18.98 54.75 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 169.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -90.97 -64.99 1.05 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.355 1.062 . . . . 0.0 113.608 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -93.42 -57.15 2.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -168.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -156.83 142.7 17.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.597 0.759 . . . . 0.0 111.447 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.63 -17.53 64.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 m -89.07 3.85 50.36 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.63 1.572 . . . . 0.0 113.906 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 164.09 14.24 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.66 -1.275 . . . . 0.0 112.974 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -152.62 152.72 32.13 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.61 1.164 . . . . 0.0 110.935 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.33 39.79 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 123.385 0.517 . . . . 0.0 114.305 -170.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -161.16 176.56 11.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.631 1.572 . . . . 0.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -98.06 141.14 31.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.185 0.994 . . . . 0.0 109.89 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -148.4 134.3 19.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.439 1.096 . . . . 0.0 109.769 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.22 55.14 6.6 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.209 1.004 . . . . 0.0 113.032 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 57.63 11.21 1.21 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.76 155.03 50.51 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.651 1.114 . . . . 0.0 112.816 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -69.71 158.64 35.0 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.283 1.433 . . . . 0.0 113.113 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -146.2 132.34 19.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.419 1.088 . . . . 0.0 112.565 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.9 m -109.4 145.29 36.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.477 2.311 . . . . 0.0 111.349 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.7 p -117.69 155.49 29.85 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 61.07 18.73 9.27 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.844 2.458 . . . . 0.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.47 148.19 33.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.485 1.514 . . . . 0.0 112.0 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 158.99 20.29 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.1 pm0 -56.11 -23.38 33.89 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.398 1.479 . . . . 0.0 113.261 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -79.2 -4.61 51.39 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.55 146.14 34.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.832 -1.168 . . . . 0.0 113.178 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.36 138.0 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.827 1.651 . . . . 0.0 109.832 170.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.68 -4.81 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -172.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -59.77 147.94 77.16 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.32 125.92 14.64 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.27 3.313 . . . . 0.0 114.317 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.54 138.23 40.91 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.646 1.978 . . . . 0.0 112.686 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.32 -22.1 60.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.553 2.169 . . . . 0.0 112.585 172.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.16 -68.45 0.17 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.485 1.914 . . . . 0.0 112.926 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -140.86 120.0 12.88 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.347 1.059 . . . . 0.0 111.87 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 . . . . . 0 N--CA 1.474 0.754 0 C-N-CA 125.522 1.529 . . . . 0.0 113.391 -178.089 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.7 tttt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.783 -0.081 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.23 168.25 19.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.759 1.623 . . . . 0.0 110.884 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.41 169.78 37.56 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.75 126.32 30.8 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.514 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 133.62 50.04 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.387 -0.821 . . . . 0.0 111.388 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.12 139.96 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.855 0.862 . . . . 0.0 110.979 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -70.9 124.56 24.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.019 0.927 . . . . 0.0 112.351 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -66.04 -24.19 66.69 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -83.59 -58.62 2.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.88 0.872 . . . . 0.0 111.88 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -92.09 -20.27 21.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.91 4.97 90.39 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.47 1.033 . . . . 0.0 114.663 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -85.23 158.58 20.3 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -66.34 156.49 34.32 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.83 1.652 . . . . 0.0 113.421 169.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.53 147.57 22.87 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.799 1.239 . . . . 0.0 111.389 171.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -74.8 167.55 21.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.929 0.891 . . . . 0.0 112.507 169.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.71 162.36 29.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.224 1.41 . . . . 0.0 112.977 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.22 178.37 3.92 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.937 1.295 . . . . 0.0 111.963 168.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -55.47 146.53 19.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.272 1.029 . . . . 0.0 110.79 169.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -51.06 143.83 9.94 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -167.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.84 -6.95 79.6 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 126.05 1.786 . . . . 0.0 115.726 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -62.45 135.89 57.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.092 1.446 . . . . 0.0 111.45 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.4 65.87 1.24 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.496 1.519 . . . . 0.0 110.876 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -134.85 -64.44 0.66 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.313 1.845 . . . . 0.0 112.311 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -91.47 -41.45 10.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.311 -0.868 . . . . 0.0 112.504 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.55 -35.91 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.058 0.943 . . . . 0.0 111.714 169.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.52 -45.14 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.955 0.902 . . . . 0.0 111.77 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -65.87 -53.38 40.4 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 111.242 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.63 -36.07 75.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.226 0.921 . . . . 0.0 112.871 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -63.6 -55.32 24.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.916 0.78 . . . . 0.0 111.348 170.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.03 -6.07 39.66 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 -26.57 15.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.899 1.68 . . . . 0.0 112.914 168.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.83 -40.97 24.02 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.284 1.033 . . . . 0.0 112.236 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.82 -171.57 2.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.822 2.049 . . . . 0.0 109.943 171.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.9 154.09 15.9 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.526 0.73 . . . . 0.0 112.514 166.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 pm0 -64.22 -17.06 63.2 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -65.1 -17.3 64.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.039 1.736 . . . . 0.0 115.277 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.57 175.9 3.84 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -150.75 -170.47 3.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.294 1.438 . . . . 0.0 110.835 172.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.59 179.24 43.26 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 119.998 1.272 . . . . 0.0 115.711 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -158.08 164.75 36.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.249 1.42 . . . . 0.0 113.499 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 98.3 m -87.52 136.34 32.98 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.0 1.32 . . . . 0.0 113.067 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -155.03 141.08 18.37 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.696 1.198 . . . . 0.0 110.676 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.17 33.72 18.62 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 59.07 27.4 16.34 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.53 1.932 . . . . 0.0 114.394 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -140.83 162.36 35.63 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.338 1.055 . . . . 0.0 113.11 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.4 t -92.71 132.9 36.53 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.219 1.007 . . . . 0.0 113.225 -169.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -117.38 125.16 50.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.01 1.724 . . . . 0.0 110.48 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.0 m -97.01 142.41 28.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.355 1.062 . . . . 0.0 112.45 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.8 p -127.55 166.55 17.79 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.234 1.414 . . . . 0.0 111.834 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.4 m80 60.98 39.84 16.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.039 1.736 . . . . 0.0 113.817 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -89.21 148.55 23.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.063 1.345 . . . . 0.0 111.061 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -62.08 145.44 53.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.251 0.548 . . . . 0.0 112.323 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.64 -26.85 65.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.39 -0.819 . . . . 0.0 112.708 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -76.43 1.08 17.42 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.8 159.94 24.99 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.553 1.141 . . . . 0.0 112.158 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -138.83 132.11 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.554 1.142 . . . . 0.0 109.246 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -117.95 -11.72 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -168.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -56.36 151.76 26.89 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.85 143.92 8.74 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 125.45 4.1 . . . . 0.0 115.366 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.51 116.54 41.27 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.954 0.902 . . . . 0.0 109.208 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -67.73 -22.08 44.03 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.101 1.867 . . . . 0.0 112.814 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -85.63 -52.94 5.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.76 1.224 . . . . 0.0 113.299 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -63.04 157.04 23.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.298 1.439 . . . . 0.0 113.131 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.985 0 C-N-CA 124.802 1.241 . . . . 0.0 112.797 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.9 tttt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.19 160.39 16.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.13 1.372 . . . . 0.0 110.516 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.39 34.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -63.4 149.77 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 0.0 111.813 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.37 92.42 5.81 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.918 0.887 . . . . 0.0 109.425 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -78.68 135.96 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -169.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -136.82 147.38 46.55 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.556 1.17 . . . . 0.0 112.885 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -88.59 -30.42 19.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.073 . . . . 0.0 112.576 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -82.39 -37.41 25.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.598 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -112.35 133.49 54.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.197 1.799 . . . . 0.0 111.564 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.62 -28.07 15.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.172 0.892 . . . . 0.0 113.107 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m -81.91 148.41 28.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.979 0.912 . . . . 0.0 112.181 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -53.47 136.89 37.27 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.912 1.685 . . . . 0.0 113.835 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -69.14 127.95 34.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.975 0.893 . . . . 0.0 111.351 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -78.0 152.98 32.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.981 1.712 . . . . 0.0 113.286 -170.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.65 147.78 47.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.146 1.378 . . . . 0.0 109.907 169.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.04 -31.9 21.73 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -167.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -150.71 136.77 18.41 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.74 0.816 . . . . 0.0 111.678 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.73 142.3 55.02 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.512 1.125 . . . . 0.0 110.434 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.55 -26.59 3.06 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.697 1.142 . . . . 0.0 115.322 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -80.29 69.07 6.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.408 1.604 . . . . 0.0 110.164 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -85.93 -14.31 45.13 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.25 -31.14 70.94 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -167.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -74.85 -35.69 62.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.066 1.303 . . . . 0.0 113.011 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.85 -38.23 84.84 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.953 -1.092 . . . . 0.0 111.688 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.53 -45.33 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.144 -0.973 . . . . 0.0 111.905 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -54.3 -52.41 61.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.266 1.026 . . . . 0.0 111.29 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.4 -44.63 95.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.82 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -61.73 -43.68 98.38 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.943 0.792 . . . . 0.0 111.264 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -81.09 -8.08 59.69 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.2 -27.17 13.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.723 0.809 . . . . 0.0 112.786 169.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -73.66 -48.96 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.563 1.545 . . . . 0.0 111.892 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.59 -167.29 1.42 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.551 1.54 . . . . 0.0 110.735 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.05 152.66 3.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 170.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -56.31 -18.46 10.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -99.78 7.89 44.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.704 1.202 . . . . 0.0 113.23 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.37 160.4 19.07 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -138.7 -179.1 5.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.098 1.359 . . . . 0.0 111.008 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.66 -177.2 48.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.229 -0.919 . . . . 0.0 115.362 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.71 163.03 40.84 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.415 1.486 . . . . 0.0 113.739 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -85.39 119.3 25.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 110.55 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -143.06 128.82 19.32 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 111.022 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.26 34.48 11.56 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.167 0.987 . . . . 0.0 112.934 -170.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.253 84.3 m-85 59.75 27.69 17.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.677 1.991 . . . . 0.0 115.396 -174.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.89 149.38 47.61 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.593 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.1 t -72.84 131.53 42.38 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.369 -0.832 . . . . 0.0 112.322 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -132.63 134.82 45.36 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.896 1.679 . . . . 0.0 110.183 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.6 m -96.45 148.33 22.91 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.995 0.902 . . . . 0.0 112.821 -170.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -143.81 166.08 25.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.803 1.641 . . . . 0.0 111.35 -172.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.4 m80 57.74 34.43 24.43 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.259 1.023 . . . . 0.0 112.998 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.92 156.36 18.5 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.202 1.801 . . . . 0.0 113.145 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.55 155.81 24.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.353 1.461 . . . . 0.0 113.212 168.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -66.24 -15.61 63.33 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.88 -1.138 . . . . 0.0 112.588 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -5.45 26.64 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 170.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.5 143.37 51.71 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.822 1.646 . . . . 0.0 111.969 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.14 148.94 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.107 1.763 . . . . 0.0 110.515 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.64 -38.69 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -65.49 -27.98 2.4 Favored Pre-proline 0 CA--C 1.554 1.116 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -64.02 14.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.685 3.59 . . . . 0.0 118.857 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.65 100.35 7.06 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.784 1.234 . . . . 0.0 110.812 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.4 -2.81 12.29 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.056 2.504 . . . . 0.0 112.653 168.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.45 -68.7 0.29 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.096 1.759 . . . . 0.0 115.312 -168.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -147.18 132.32 18.32 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 127.234 2.214 . . . . 0.0 111.609 170.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 tttm . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -127.38 164.16 22.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.559 1.143 . . . . 0.0 111.721 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.98 158.47 30.56 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 115.698 1.039 . . . . 0.0 115.698 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -79.01 142.43 36.6 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.829 -0.806 . . . . 0.0 112.071 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.0 14.22 0.56 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -171.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.5 p -49.62 132.42 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.041 1.336 . . . . 0.0 111.753 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -84.56 74.62 10.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.175 1.39 . . . . 0.0 109.45 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -40.93 -7.76 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 1 C-N-CA 132.011 4.124 . . . . 0.0 119.727 -168.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.76 -23.17 67.07 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.803 1.241 . . . . 0.0 110.361 164.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.2 p -141.04 173.96 10.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.212 2.605 . . . . 0.0 110.258 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.72 10.91 68.1 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.986 -1.072 . . . . 0.0 115.295 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.51 139.79 57.01 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.487 1.515 . . . . 0.0 114.776 -168.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -82.6 160.56 22.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.907 2.083 . . . . 0.0 114.459 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -129.1 83.33 2.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.201 1.4 . . . . 0.0 111.829 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -72.97 149.44 43.33 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.232 1.413 . . . . 0.0 113.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -139.51 112.09 7.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.236 2.215 . . . . 0.0 108.681 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.75 0.43 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -146.18 160.97 41.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.752 2.021 . . . . 0.0 110.193 -175.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.4 mt -106.53 157.32 17.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.305 0.642 . . . . 0.0 110.075 168.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.26 -26.02 1.27 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.275 1.417 . . . . 0.0 116.465 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -76.88 66.2 2.71 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.548 1.674 . . . . 0.0 112.495 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -63.47 -21.15 66.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.559 1.544 . . . . 0.0 115.0 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -49.56 -47.92 48.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.935 1.694 . . . . 0.0 113.049 -170.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.29 -46.85 85.33 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.207 -0.933 . . . . 0.0 113.063 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.4 m -69.24 -30.6 68.77 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.68 -52.98 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.773 1.17 . . . . 0.0 110.027 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -57.36 -42.5 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.737 1.215 . . . . 0.0 113.318 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -77.16 -34.68 56.41 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.01 -41.32 74.47 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.705 1.139 . . . . 0.0 112.268 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -67.47 -5.17 13.72 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -106.04 -28.08 10.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.616 1.167 . . . . 0.0 113.149 171.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -67.47 -54.78 17.24 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.646 1.178 . . . . 0.0 111.386 168.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -100.05 -176.98 3.4 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.25 1.82 . . . . 0.0 109.449 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -56.0 155.96 5.83 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.885 1.274 . . . . 0.0 113.321 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -61.42 -18.95 61.23 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -170.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.7 m -80.35 -4.64 54.28 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.44 158.64 35.92 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.051 1.296 . . . . 0.0 113.485 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -141.19 162.81 34.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.079 1.752 . . . . 0.0 111.271 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.7 173.85 41.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 121.781 -0.575 . . . . 0.0 114.135 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -146.78 168.5 21.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.887 1.275 . . . . 0.0 113.567 -176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.1 m -82.52 60.63 5.25 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.733 1.213 . . . . 0.0 111.633 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.78 115.18 3.48 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.128 0.971 . . . . 0.0 110.531 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 46.96 52.87 11.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 121.948 0.88 . . . . 0.0 112.484 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 67.5 16.75 9.99 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.05 154.06 39.75 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.761 -1.212 . . . . 0.0 112.718 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -74.27 132.78 42.42 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -169.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -135.71 121.78 20.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.379 1.871 . . . . 0.0 110.597 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.6 m -81.98 150.17 27.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.644 1.578 . . . . 0.0 112.765 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -132.06 159.42 38.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.008 1.723 . . . . 0.0 111.933 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 65.06 14.48 9.39 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.37 162.63 29.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.183 1.393 . . . . 0.0 113.088 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.0 172.45 0.42 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 113.831 167.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.43 -14.81 54.39 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.616 -1.302 . . . . 0.0 113.524 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -85.0 18.49 2.47 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.94 27.46 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.617 -1.302 . . . . 0.0 113.338 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.27 131.06 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.03 1.332 . . . . 0.0 111.989 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 m -97.83 171.39 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.012 1.325 . . . . 0.0 112.867 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -70.09 -28.4 1.39 Allowed Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 -169.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -72.58 119.72 6.28 Favored 'Trans proline' 0 C--N 1.353 0.764 0 CA-C-N 123.485 2.28 . . . . 0.0 111.107 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.2 133.27 22.21 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.153 0.981 . . . . 0.0 109.781 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.28 -23.69 38.45 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.65 2.233 . . . . 0.0 114.035 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -138.28 -45.26 0.51 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.753 1.221 . . . . 0.0 113.003 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.46 135.38 57.64 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 120.038 1.29 . . . . 0.0 112.494 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 125.868 1.667 . . . . 0.0 112.193 -177.712 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.386 0.136 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.53 154.41 21.78 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.75 0.82 . . . . 0.0 111.003 168.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.85 141.11 11.3 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -80.91 107.37 13.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.146 2.178 . . . . 0.0 110.987 175.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.7 tp -78.07 110.33 12.93 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.763 -0.586 . . . . 0.0 112.1 -175.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.09 138.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.952 1.301 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.67 84.16 1.6 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 168.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -54.88 -2.84 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 118.972 2.952 . . . . 0.0 118.972 -167.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -70.59 -15.4 62.75 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.841 0.856 . . . . 0.0 111.043 163.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -134.63 154.42 51.52 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 129.871 3.269 . . . . 0.0 110.038 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.65 -20.42 56.26 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.76 107.98 14.03 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 118.909 1.354 . . . . 0.0 112.296 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 164.35 10.24 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.101 1.761 . . . . 0.0 114.664 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -66.82 117.46 8.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.556 1.142 . . . . 0.0 112.728 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -79.28 156.82 27.91 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.448 1.499 . . . . 0.0 113.193 176.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -130.14 146.13 51.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.914 1.686 . . . . 0.0 110.042 169.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.6 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.445 -0.785 . . . . 0.0 111.979 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.96 152.55 29.25 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.368 1.867 . . . . 0.0 111.293 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -86.67 153.59 21.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.273 1.029 . . . . 0.0 112.235 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.11 -26.77 1.47 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.67 1.129 . . . . 0.0 115.423 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.6 144.99 35.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.509 1.124 . . . . 0.0 112.25 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -137.41 -21.04 1.18 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -170.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.18 -47.08 75.72 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 121.934 2.152 . . . . 0.0 113.433 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -67.9 -49.01 64.36 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.705 1.602 . . . . 0.0 112.396 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.2 t -64.35 -40.22 95.42 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.494 -0.754 . . . . 0.0 112.488 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.74 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.68 1.192 . . . . 0.0 111.009 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.81 -51.08 71.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.919 1.287 . . . . 0.0 112.421 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.37 -33.77 73.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.604 -0.685 . . . . 0.0 112.602 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.74 -49.19 66.79 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.151 0.887 . . . . 0.0 111.652 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -70.01 -15.03 62.96 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.74 -17.81 29.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 113.105 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -85.28 -44.49 12.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.357 1.063 . . . . 0.0 112.161 171.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.44 -151.31 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.296 1.839 . . . . 0.0 110.543 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.73 157.71 28.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.745 2.018 . . . . 0.0 112.644 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -62.92 -22.28 66.65 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.2 p -80.12 4.19 18.1 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.98 161.68 28.41 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 120.361 -1.462 . . . . 0.0 114.101 172.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -146.83 171.26 15.46 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.633 1.973 . . . . 0.0 110.378 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.8 176.03 45.48 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.864 1.221 . . . . 0.0 113.928 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -151.63 167.56 27.75 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 118.246 1.023 . . . . 0.0 113.718 172.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.56 118.45 20.7 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.94 0.896 . . . . 0.0 112.962 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -140.16 133.59 30.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.019 2.528 . . . . 0.0 110.235 -174.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.98 24.06 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.947 1.299 . . . . 0.0 113.402 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 55.7 30.9 16.38 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.133 2.173 . . . . 0.0 114.603 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.09 160.29 40.67 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.271 1.828 . . . . 0.0 110.459 173.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.46 149.56 45.75 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.632 -1.292 . . . . 0.0 111.688 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -142.67 112.23 6.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.679 1.592 . . . . 0.0 109.484 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.8 m -75.65 148.06 39.0 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.738 0.815 . . . . 0.0 111.33 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -129.94 154.7 47.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.957 0.903 . . . . 0.0 112.477 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.9 m80 64.63 18.5 11.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.4 mt -75.12 168.27 20.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.897 1.279 . . . . 0.0 113.473 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.75 167.29 17.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.747 1.219 . . . . 0.0 114.223 169.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -60.93 -17.87 53.57 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.735 1.214 . . . . 0.0 113.388 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -80.88 1.35 31.21 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 143.61 57.8 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.602 -1.311 . . . . 0.0 113.6 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.7 t -75.98 147.27 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.389 1.476 . . . . 0.0 110.93 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.47 -171.86 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.433 1.093 . . . . 0.0 112.905 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 14.3 m-90 -37.16 142.82 0.37 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 128.723 2.809 . . . . 0.0 116.114 -171.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo 31.07 91.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.993 1 C-N-CA 127.06 5.173 . . . . 0.0 117.049 177.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.3 117.09 14.67 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.653 1.581 . . . . 0.0 112.274 -171.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.54 -13.01 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.99 2.46 . . . . 0.0 113.555 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -77.08 -36.52 55.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.158 1.383 . . . . 0.0 113.71 -174.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -151.55 129.97 12.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.601 1.561 . . . . 0.0 109.826 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 . . . . . 0 N--CA 1.475 0.821 0 C-N-CA 124.654 1.181 . . . . 0.0 110.741 178.255 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 tttt . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 119.931 -0.08 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.17 161.51 13.56 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.431 1.092 . . . . 0.0 113.592 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.64 162.58 28.93 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 172.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -71.43 134.96 46.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.158 1.383 . . . . 0.0 113.326 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.0 tp -82.72 128.28 34.22 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.121 -0.987 . . . . 0.0 111.476 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -148.49 133.21 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.311 1.044 . . . . 0.0 111.525 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -76.4 117.75 18.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.366 1.066 . . . . 0.0 110.83 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -70.47 -24.83 62.94 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -104.0 -29.93 10.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.947 0.899 . . . . 0.0 113.323 -170.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -145.75 61.66 1.26 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.618 1.967 . . . . 0.0 109.58 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.09 35.81 0.19 Allowed Glycine 0 N--CA 1.47 0.945 0 C-N-CA 129.516 3.436 . . . . 0.0 119.348 -167.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m -67.29 134.63 51.95 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.946 0.873 . . . . 0.0 108.927 169.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -56.44 140.28 46.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.85 1.66 . . . . 0.0 114.623 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -88.76 67.09 8.25 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 0.0 111.939 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -71.92 151.25 43.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.481 1.113 . . . . 0.0 113.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -117.75 145.74 44.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.347 1.859 . . . . 0.0 110.215 168.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.52 -29.0 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -133.8 154.75 50.78 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.799 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.87 61.49 1.46 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.716 1.606 . . . . 0.0 110.827 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.54 9.23 0.02 OUTLIER Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.683 1.135 . . . . 0.0 115.567 -169.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -86.0 28.87 0.77 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.013 1.906 . . . . 0.0 113.209 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -53.26 -29.36 32.41 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.846 2.058 . . . . 0.0 116.322 -168.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.39 -48.83 55.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.584 1.538 . . . . 0.0 113.221 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.95 -40.91 91.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.707 -0.621 . . . . 0.0 112.088 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.4 m -62.58 -38.9 91.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.308 0.504 . . . . 0.0 112.176 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.04 -45.9 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.033 0.933 . . . . 0.0 110.663 174.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -64.2 -29.53 70.63 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.107 1.363 . . . . 0.0 113.856 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.44 -54.9 6.28 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.295 -0.878 . . . . 0.0 110.626 167.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.2 t -59.72 -42.02 92.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.499 1.12 . . . . 0.0 113.009 -170.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.89 -14.67 61.93 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.0 mt -107.97 -34.0 7.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.33 1.052 . . . . 0.0 112.62 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -65.19 -20.76 66.6 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 171.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 51' ' ' LEU . 59.5 m-85 -123.6 -89.07 0.6 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.858 1.663 . . . . 0.0 110.143 174.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -161.06 151.29 17.66 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 128.262 2.625 . . . . 0.0 109.119 -172.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -62.84 -21.12 65.71 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 m -73.93 -5.1 39.13 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.77 164.25 26.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.882 1.219 . . . . 0.0 113.719 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -147.68 -174.2 4.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.357 1.463 . . . . 0.0 110.699 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.28 176.3 40.96 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 120.756 1.616 . . . . 0.0 116.512 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -154.19 171.92 18.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.857 1.663 . . . . 0.0 113.241 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -87.12 69.33 10.13 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 113.463 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.5 111.55 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.877 -1.139 . . . . 0.0 111.459 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.89 57.72 4.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.393 1.477 . . . . 0.0 112.908 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 64.56 15.85 9.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.954 2.102 . . . . 0.0 116.39 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 145.64 51.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.619 1.099 . . . . 0.0 112.356 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.12 131.7 46.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.285 -0.884 . . . . 0.0 112.441 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -132.81 124.38 27.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.661 2.384 . . . . 0.0 109.15 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -85.46 149.74 25.19 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.577 1.151 . . . . 0.0 112.201 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.74 167.0 17.9 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.072 1.749 . . . . 0.0 109.866 169.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.1 m80 65.05 25.73 12.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.299 1.04 . . . . 0.0 113.713 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 33' ' ' TYR . 32.4 mt -78.9 158.92 27.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.758 1.223 . . . . 0.0 112.354 173.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.21 155.26 17.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.477 1.511 . . . . 0.0 113.04 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -33.59 74.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.732 -1.23 . . . . 0.0 113.179 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -82.39 11.86 5.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.912 1.685 . . . . 0.0 114.441 174.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 129.42 41.93 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.486 1.494 . . . . 0.0 113.661 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.92 113.57 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.225 1.41 . . . . 0.0 111.369 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.0 -16.3 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.696 1.199 . . . . 0.0 114.137 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -74.07 132.75 79.3 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.856 0.862 . . . . 0.0 111.873 -173.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.91 137.96 22.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.227 2.618 . . . . 0.0 115.359 -168.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.04 163.51 55.03 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 111.756 171.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.56 -25.4 34.85 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.424 2.083 . . . . 0.0 113.18 170.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.24 -26.81 64.02 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.297 0.0 OUTLIER -65.04 7.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.544 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? . . . . . 0 N--CA 1.475 0.812 0 C-N-CA 125.988 1.715 . . . . 0.0 109.944 169.264 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.8 tttt . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -97.41 152.07 19.32 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.668 1.187 . . . . 0.0 110.411 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.65 24.26 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 117.491 1.756 . . . . 0.0 117.491 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.55 128.18 33.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.842 1.657 . . . . 0.0 110.268 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.5 tp -71.25 137.38 48.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -140.76 167.0 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.157 1.783 . . . . 0.0 111.941 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -97.98 137.75 36.33 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.334 1.454 . . . . 0.0 108.991 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -66.69 -22.24 66.08 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 120.971 -1.081 . . . . 0.0 112.425 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.23 -29.86 38.5 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.5 t -159.47 140.55 12.67 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.129 0.877 . . . . 0.0 112.913 -173.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.81 16.03 2.76 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 117.045 1.578 . . . . 0.0 117.045 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.03 132.99 45.01 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.515 1.658 . . . . 0.0 112.512 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 138.75 41.16 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -171.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -80.96 82.48 6.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.51 1.124 . . . . 0.0 111.13 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.3 p -70.1 153.23 43.42 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.891 0.876 . . . . 0.0 111.562 169.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -111.4 147.75 34.53 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.12 1.768 . . . . 0.0 109.861 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -43.19 70.18 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.436 -0.79 . . . . 0.0 112.962 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -141.65 151.75 43.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.895 1.678 . . . . 0.0 111.558 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.83 157.45 38.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.467 0.707 . . . . 0.0 111.131 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.64 -32.43 0.71 Allowed Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.328 1.442 . . . . 0.0 114.91 -176.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -76.16 66.34 2.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.421 1.888 . . . . 0.0 111.554 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -84.85 0.69 50.04 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.94 -47.12 87.09 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.444 1.475 . . . . 0.0 112.977 -171.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.89 -43.02 99.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.923 0.889 . . . . 0.0 112.379 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.77 -46.42 84.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.91 0.884 . . . . 0.0 112.336 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.79 -46.45 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.9 0.773 . . . . 0.0 111.219 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -61.71 -51.06 69.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.135 0.974 . . . . 0.0 112.143 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -26.75 67.66 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.782 -1.199 . . . . 0.0 113.594 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.47 -41.69 23.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -67.24 -31.75 72.31 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.391 -0.818 . . . . 0.0 112.169 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.66 -19.89 61.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -81.85 -66.85 0.84 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.269 1.028 . . . . 0.0 112.5 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -90.74 -67.16 0.87 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -157.88 148.71 20.98 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.54 1.536 . . . . 0.0 109.998 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.49 -25.16 66.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 m -74.66 -3.54 31.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 151.94 46.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.869 1.668 . . . . 0.0 113.378 -172.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -139.48 159.8 41.33 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.509 1.524 . . . . 0.0 111.033 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.03 174.46 43.55 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.842 1.211 . . . . 0.0 112.693 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -146.6 164.28 33.13 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 113.124 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.6 52.12 2.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.083 1.353 . . . . 0.0 113.257 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -53.08 120.63 6.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.658 1.183 . . . . 0.0 110.678 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.62 39.35 21.27 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.993 0.917 . . . . 0.0 113.429 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 65.62 22.52 11.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.427 1.891 . . . . 0.0 114.957 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.67 149.29 49.24 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.947 -1.095 . . . . 0.0 113.382 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -72.66 121.5 19.89 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -127.23 120.99 29.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.871 2.068 . . . . 0.0 108.983 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 55.9 m -109.97 156.28 20.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.464 1.106 . . . . 0.0 113.475 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -117.69 161.29 19.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.104 1.362 . . . . 0.0 113.78 -168.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 56.0 25.13 8.44 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.102 1.361 . . . . 0.0 114.558 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.22 151.46 44.29 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.07 1.748 . . . . 0.0 112.129 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -70.23 158.5 35.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.6 0.76 . . . . 0.0 112.146 169.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.08 -29.02 65.12 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.925 0.89 . . . . 0.0 112.785 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -80.41 11.76 3.44 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.83 143.39 55.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.715 -1.241 . . . . 0.0 112.918 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.4 132.68 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.838 0.855 . . . . 0.0 112.456 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -157.31 95.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.072 1.749 . . . . 0.0 108.857 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.392 25.5 m-90 51.12 -143.82 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.441 1.496 . . . . 0.0 113.697 -167.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER 34.21 45.61 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 124.335 3.356 . . . . 0.0 116.573 -165.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.25 142.64 84.87 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.351 1.06 . . . . 0.0 113.694 -169.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.71 -12.28 26.53 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.285 2.657 . . . . 0.0 111.781 167.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -104.36 -116.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.712 2.005 . . . . 0.0 112.611 -169.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -110.65 141.24 44.15 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 118.238 2.681 . . . . 0.0 118.238 -165.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 127.08 2.152 . . . . 0.0 107.591 166.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.7 tttt . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 119.895 -0.098 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -121.05 153.04 37.92 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.782 1.233 . . . . 0.0 113.013 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.79 163.88 27.31 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 121.459 -0.776 . . . . 0.0 113.616 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -70.91 148.71 47.47 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.097 -1.237 . . . . 0.0 113.568 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.9 tp -76.92 129.27 35.94 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.502 1.121 . . . . 0.0 111.73 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.42 137.63 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.986 0.898 . . . . 0.0 113.146 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -101.52 130.78 47.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.303 1.441 . . . . 0.0 108.494 168.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -69.8 -25.41 63.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -74.99 -28.84 60.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -89.78 151.38 21.84 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.082 -1.011 . . . . 0.0 111.493 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -21.74 64.99 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-O 117.633 -1.648 . . . . 0.0 116.389 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -141.79 159.29 42.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.97 1.885 . . . . 0.0 113.168 -170.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.36 166.9 5.84 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.268 2.227 . . . . 0.0 115.12 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -74.3 120.27 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.393 1.477 . . . . 0.0 113.178 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.7 p -75.55 161.65 28.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.298 1.039 . . . . 0.0 113.161 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -157.19 172.67 18.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.786 1.234 . . . . 0.0 111.878 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.68 -121.28 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.264 1.026 . . . . 0.0 113.341 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -75.44 144.03 42.35 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.652 -1.28 . . . . 0.0 112.828 -171.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.12 136.14 56.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.094 -1.004 . . . . 0.0 111.77 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.09 -15.16 58.77 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.43 1.491 . . . . 0.0 115.023 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -66.49 127.99 34.48 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.711 1.756 . . . . 0.0 109.311 169.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -135.97 -18.0 1.61 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 -168.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.24 -34.19 71.91 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 122.052 2.206 . . . . 0.0 114.374 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -71.31 -55.28 8.35 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.03 -1.043 . . . . 0.0 110.954 170.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.2 m -60.39 -39.78 88.53 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.69 -51.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.154 0.982 . . . . 0.0 110.556 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -66.65 -45.24 79.65 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.109 0.964 . . . . 0.0 111.611 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.34 -39.64 95.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.086 0.857 . . . . 0.0 112.892 173.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.21 -46.73 82.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.704 1.138 . . . . 0.0 111.758 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -77.17 -6.23 52.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -101.08 -23.82 14.41 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.42 1.088 . . . . 0.0 112.81 169.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -76.22 -47.08 25.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.523 1.129 . . . . 0.0 111.612 171.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.48 -168.8 1.5 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.142 1.777 . . . . 0.0 110.164 174.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.63 144.56 13.61 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.98 -14.91 61.52 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 m -69.83 -9.78 56.0 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 160.25 16.9 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -147.61 -174.41 4.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.558 1.943 . . . . 0.0 110.075 171.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.7 -168.05 39.95 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 120.199 -1.563 . . . . 0.0 116.673 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -159.42 169.5 23.8 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.222 1.809 . . . . 0.0 112.177 172.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.01 138.21 32.14 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.222 -0.924 . . . . 0.0 111.347 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -151.98 133.24 14.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.531 1.132 . . . . 0.0 110.09 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.77 45.51 11.4 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.495 1.118 . . . . 0.0 113.67 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.64 22.21 12.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.88 27.29 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.98 -1.075 . . . . 0.0 112.539 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.7 127.39 32.23 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.696 -0.628 . . . . 0.0 112.306 -172.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -110.35 107.71 17.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.101 1.76 . . . . 0.0 109.062 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.4 m -73.65 151.78 40.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.348 1.059 . . . . 0.0 111.097 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -134.24 163.53 29.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.162 1.385 . . . . 0.0 111.021 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.9 m80 61.97 20.54 11.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.952 1.301 . . . . 0.0 113.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.35 158.58 35.69 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.107 1.363 . . . . 0.0 112.409 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.15 160.76 4.68 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.557 1.543 . . . . 0.0 114.207 172.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -58.54 -21.3 52.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.241 1.416 . . . . 0.0 113.184 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -77.2 -5.47 49.33 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.51 143.99 55.88 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.053 0.842 . . . . 0.0 111.853 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.17 140.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 126.254 1.822 . . . . 0.0 110.534 -172.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -108.3 -1.2 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.727 1.211 . . . . 0.0 114.258 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -67.96 141.76 94.75 Favored Pre-proline 0 CA--C 1.554 1.111 0 O-C-N 120.774 -1.204 . . . . 0.0 110.381 167.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -60.65 150.71 80.7 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.564 2.842 . . . . 0.0 114.509 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 141.56 92.13 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.806 1.242 . . . . 0.0 112.686 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -72.46 -16.61 27.41 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.028 2.486 . . . . 0.0 113.175 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -69.17 -67.9 0.44 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.886 1.674 . . . . 0.0 113.269 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.42 149.95 49.85 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.668 1.187 . . . . 0.0 112.892 -174.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? . . . . . 0 N--CA 1.479 1.006 0 C-N-CA 125.031 1.332 . . . . 0.0 111.687 173.43 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -120.76 141.33 50.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.324 1.05 . . . . 0.0 111.81 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.91 171.93 44.9 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 116.301 1.28 . . . . 0.0 116.301 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.72 131.16 45.37 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.235 2.214 . . . . 0.0 112.855 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tp -78.86 120.02 22.89 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.266 -0.896 . . . . 0.0 111.417 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 p -134.74 147.73 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.331 1.053 . . . . 0.0 111.596 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.18 117.47 7.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.41 1.084 . . . . 0.0 112.214 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -57.95 -25.62 61.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 114.038 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -88.36 -41.76 12.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.416 1.086 . . . . 0.0 113.217 -171.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.7 p -140.73 -1.95 1.4 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.93 10.16 79.31 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.137 1.615 . . . . 0.0 117.137 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -58.25 141.21 51.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.502 1.651 . . . . 0.0 113.069 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -81.89 156.68 24.68 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -108.19 99.75 9.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.24 1.016 . . . . 0.0 111.768 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -74.3 162.79 28.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.074 0.95 . . . . 0.0 113.063 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.2 t -156.56 163.59 39.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.396 1.878 . . . . 0.0 111.512 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 179.38 0.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.406 1.882 . . . . 0.0 114.642 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.1 157.03 2.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.697 1.599 . . . . 0.0 111.822 169.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.1 mt -50.28 160.52 0.37 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.959 2.104 . . . . 0.0 114.93 -171.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.24 -38.04 2.01 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 126.236 1.874 . . . . 0.0 115.912 174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -72.83 72.27 1.07 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.479 1.912 . . . . 0.0 111.72 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -90.06 -15.31 32.02 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -168.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -25.05 67.48 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -166.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -69.39 -45.33 69.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.842 0.746 . . . . 0.0 111.005 170.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.0 t -68.42 -33.29 73.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.001 0.92 . . . . 0.0 112.951 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.94 -46.98 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.176 1.353 . . . . 0.0 110.682 170.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -64.07 -45.87 86.82 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.863 0.865 . . . . 0.0 112.158 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.07 -41.81 98.55 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.566 1.076 . . . . 0.0 112.969 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.39 -48.16 80.95 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 111.312 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -80.09 -3.03 47.02 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -103.51 -30.83 10.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.873 1.269 . . . . 0.0 112.587 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -71.33 -51.11 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.272 1.829 . . . . 0.0 110.061 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -103.7 -172.27 2.08 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.814 1.246 . . . . 0.0 109.246 167.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.67 156.24 27.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.696 1.199 . . . . 0.0 114.145 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -54.27 -28.9 44.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -83.11 0.3 45.72 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.21 160.57 31.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.892 0.877 . . . . 0.0 111.946 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -149.46 157.2 43.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.395 1.078 . . . . 0.0 111.902 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.95 -178.37 35.79 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 -171.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -159.17 171.38 20.02 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.382 2.273 . . . . 0.0 111.089 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.75 147.26 27.89 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.131 -0.981 . . . . 0.0 113.269 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -148.31 134.19 19.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.051 1.341 . . . . 0.0 108.852 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.31 39.21 11.82 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.828 1.251 . . . . 0.0 114.018 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.252 77.5 m-85 64.58 24.79 13.09 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.406 1.882 . . . . 0.0 115.513 -177.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.72 151.86 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.431 1.092 . . . . 0.0 113.184 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.37 136.89 38.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.608 1.163 . . . . 0.0 113.291 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -121.8 136.32 54.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.934 2.494 . . . . 0.0 108.957 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -132.05 147.36 52.44 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.509 1.124 . . . . 0.0 111.434 -168.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 p -133.46 163.8 28.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.876 1.67 . . . . 0.0 112.791 -167.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 63.63 25.71 14.38 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.037 1.735 . . . . 0.0 112.629 -168.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.37 138.86 49.52 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.367 1.467 . . . . 0.0 111.304 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.11 25.06 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.56 1.171 . . . . 0.0 113.23 169.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 pm0 -61.51 -18.87 61.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.402 1.081 . . . . 0.0 113.655 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -81.6 5.64 17.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.061 1.345 . . . . 0.0 113.98 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.66 172.43 8.67 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.839 -1.163 . . . . 0.0 113.323 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -140.74 148.97 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.943 1.697 . . . . 0.0 110.619 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.42 156.01 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.022 1.729 . . . . 0.0 110.844 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.0 m95 58.43 177.36 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.343 0 C-N-CA 125.622 1.569 . . . . 0.0 113.146 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -57.66 143.76 94.33 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.71 2.273 . . . . 0.0 113.988 -173.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.7 122.71 69.04 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.265 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.73 -20.28 30.45 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.806 2.338 . . . . 0.0 113.199 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -52.19 -46.82 65.72 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 113.61 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -137.72 172.06 13.52 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.294 2.238 . . . . 0.0 110.708 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.626 1.17 . . . . 0.0 112.099 173.623 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.7 tttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.084 0.469 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.98 164.85 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.124 2.17 . . . . 0.0 111.464 -173.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.63 155.16 26.25 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.552 0.596 . . . . 0.0 113.333 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -79.46 158.31 27.32 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.037 -1.272 . . . . 0.0 111.2 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -71.89 47.96 0.15 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.101 0.96 . . . . 0.0 112.172 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -75.24 102.22 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.204 -1.56 . . . . 0.0 113.83 -169.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.82 100.72 11.73 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.921 1.289 . . . . 0.0 107.874 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -70.4 -1.07 9.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.395 1.478 . . . . 0.0 114.558 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -65.72 -21.63 66.54 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.806 1.242 . . . . 0.0 112.73 172.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -154.51 156.62 37.0 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.81 3.19 57.16 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.85 151.28 39.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.359 1.579 . . . . 0.0 113.193 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.26 152.04 24.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 110.843 168.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -117.1 75.48 0.98 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 123.27 1.509 . . . . 0.0 111.93 -169.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.2 p -68.27 157.14 36.21 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.946 2.098 . . . . 0.0 113.466 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 p -161.64 -174.01 4.02 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.467 1.507 . . . . 0.0 112.602 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.92 -176.16 1.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.628 1.971 . . . . 0.0 116.301 -169.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.07 157.6 9.96 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.891 1.276 . . . . 0.0 113.023 169.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.79 140.37 42.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.173 0.989 . . . . 0.0 112.254 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.98 -32.14 1.75 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.29 1.424 . . . . 0.0 114.853 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.73 33.43 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.936 -1.332 . . . . 0.0 112.286 171.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.34 30.63 7.06 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -166.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -55.67 -29.43 59.31 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -55.94 -43.69 77.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.759 0.823 . . . . 0.0 112.134 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.23 -35.91 80.55 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.142 -0.974 . . . . 0.0 111.63 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -66.2 -38.68 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.571 1.078 . . . . 0.0 111.326 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -69.84 -39.4 76.46 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.358 1.063 . . . . 0.0 113.809 173.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.68 -34.01 30.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 117.765 -1.112 . . . . 0.0 113.496 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.2 m -64.13 -38.29 90.53 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 121.092 1.769 . . . . 0.0 111.236 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -71.72 -4.81 29.61 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.19 -34.93 6.7 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.266 1.426 . . . . 0.0 112.548 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -68.94 -30.07 68.44 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.981 2.512 . . . . 0.0 112.786 175.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -122.82 -173.09 2.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.0 2.92 . . . . 0.0 108.151 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.47 155.16 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 169.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -56.3 -15.74 4.42 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.333 1.453 . . . . 0.0 114.774 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -75.71 -16.6 60.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.556 1.542 . . . . 0.0 114.69 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 164.47 16.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -169.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -125.17 169.36 12.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.593 2.757 . . . . 0.0 110.021 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.93 167.77 38.24 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 169.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -157.32 171.22 20.79 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.199 0.999 . . . . 0.0 113.448 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.3 m -84.43 59.4 5.4 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.192 0.997 . . . . 0.0 113.427 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -63.04 115.68 4.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.909 0.883 . . . . 0.0 109.999 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.9 49.24 17.14 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 63.47 27.37 15.12 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.9 149.45 32.26 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.823 -1.173 . . . . 0.0 113.134 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.48 111.48 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.926 0.869 . . . . 0.0 113.112 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -110.41 114.63 28.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.281 2.232 . . . . 0.0 108.898 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 m -87.47 141.94 28.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.51 1.124 . . . . 0.0 111.032 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -131.39 164.99 24.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.885 1.274 . . . . 0.0 112.26 -169.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m80 59.86 48.96 8.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.614 1.565 . . . . 0.0 112.457 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.7 mt -105.68 163.04 13.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.978 1.311 . . . . 0.0 113.69 -170.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.64 158.74 11.94 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 169.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.26 -23.75 38.35 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.199 0.999 . . . . 0.0 113.507 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -73.34 -3.12 25.17 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.74 159.48 16.26 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.01 152.47 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.761 1.624 . . . . 0.0 112.165 -175.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.96 160.21 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.592 1.557 . . . . 0.0 114.017 -170.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.257 4.7 m0 57.99 163.53 0.08 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 130.232 3.413 . . . . 0.0 118.175 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -57.74 144.35 93.43 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.925 3.083 . . . . 0.0 113.023 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.28 122.19 41.78 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 123.224 0.609 . . . . 0.0 112.305 -168.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.56 -20.33 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.24 1.96 . . . . 0.0 113.464 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -81.75 -26.8 34.2 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -170.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -115.7 155.04 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.285 1.834 . . . . 0.0 112.07 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 C-N-CA 125.501 1.521 . . . . 0.0 110.687 169.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.416 ' HE2' HG11 ' A' ' 57' ' ' VAL . 70.5 tttt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.98 154.28 21.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.176 0.898 . . . . 0.0 109.466 168.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.13 165.17 30.7 Favored Glycine 0 N--CA 1.469 0.881 0 N-CA-C 117.367 1.707 . . . . 0.0 117.367 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -82.64 172.98 12.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.452 1.501 . . . . 0.0 112.515 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -139.17 107.63 5.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.523 1.129 . . . . 0.0 110.227 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.53 147.57 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.696 1.198 . . . . 0.0 112.118 -172.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -65.0 144.78 57.07 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.072 1.349 . . . . 0.0 111.916 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -81.39 -26.45 35.44 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.388 -1.445 . . . . 0.0 113.14 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.34 -21.88 26.99 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -156.06 165.25 36.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.171 1.788 . . . . 0.0 109.909 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.11 12.05 3.39 Favored Glycine 0 CA--C 1.542 1.754 0 O-C-N 120.638 -1.288 . . . . 0.0 116.162 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.66 129.17 37.24 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.134 1.467 . . . . 0.0 114.742 -170.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 144.59 30.28 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.652 1.581 . . . . 0.0 111.118 169.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.92 116.71 16.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.805 -0.56 . . . . 0.0 111.742 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -76.23 167.92 20.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.483 0.713 . . . . 0.0 112.611 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 t -144.96 138.15 26.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.952 2.101 . . . . 0.0 110.903 177.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.58 -27.08 20.47 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -143.14 132.67 23.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.539 1.536 . . . . 0.0 112.504 176.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.5 mt -75.02 165.63 24.95 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.094 0.958 . . . . 0.0 111.498 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.54 -42.61 2.64 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.662 1.125 . . . . 0.0 114.148 175.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 84.77 1.27 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.037 1.335 . . . . 0.0 110.029 169.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -70.2 -18.53 63.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.375 -1.453 . . . . 0.0 114.386 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -55.11 -39.08 68.96 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -56.67 -51.12 69.97 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.695 0.68 . . . . 0.0 111.677 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.45 -24.79 50.25 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.258 -0.877 . . . . 0.0 113.366 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.7 t -60.8 -47.74 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.06 1.3 . . . . 0.0 110.381 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -58.01 -49.87 75.37 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.925 0.89 . . . . 0.0 112.454 175.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -67.86 -32.2 72.55 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.259 -0.901 . . . . 0.0 112.703 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 t -73.49 -44.74 57.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 120.336 1.426 . . . . 0.0 112.414 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -63.95 -21.66 66.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.64 -36.97 17.16 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.515 0.726 . . . . 0.0 112.299 169.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -59.82 -51.0 71.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.907 1.283 . . . . 0.0 112.422 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.44 -90.75 0.37 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.574 1.55 . . . . 0.0 110.423 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -145.99 153.34 40.66 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.176 1.39 . . . . 0.0 111.343 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -30.11 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -85.27 6.35 26.53 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.362 1.465 . . . . 0.0 114.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.99 165.8 22.68 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -132.41 165.84 23.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.979 1.711 . . . . 0.0 111.885 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.81 -176.91 47.04 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 121.493 -0.755 . . . . 0.0 114.425 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -159.96 178.85 9.31 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.068 1.747 . . . . 0.0 112.139 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.4 m -93.32 140.1 29.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.436 0.694 . . . . 0.0 110.907 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -148.51 136.96 21.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.423 1.889 . . . . 0.0 109.038 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.75 44.27 27.85 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.327 1.051 . . . . 0.0 112.772 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 55.18 29.23 12.3 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.295 1.438 . . . . 0.0 114.494 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.46 163.57 33.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.113 1.365 . . . . 0.0 110.796 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m -71.65 161.33 31.16 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 122.209 1.004 . . . . 0.0 113.216 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -151.83 133.0 14.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.319 2.248 . . . . 0.0 108.198 171.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.6 m -101.73 147.96 25.84 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.45 1.1 . . . . 0.0 110.978 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.9 p -133.3 157.63 44.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.846 0.832 . . . . 0.0 112.682 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.81 26.49 13.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.965 1.306 . . . . 0.0 113.46 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.8 165.19 25.65 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.46 -1.4 . . . . 0.0 112.162 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.42 169.83 5.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.826 1.651 . . . . 0.0 114.617 169.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.99 -20.31 65.17 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.226 -0.921 . . . . 0.0 113.381 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -77.88 5.87 8.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.72 150.09 49.59 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -175.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.67 133.44 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG11 ' HE2' ' A' ' 1' ' ' LYS . 28.8 m -134.12 139.34 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.023 0.929 . . . . 0.0 110.927 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 60.28 159.88 0.11 Allowed Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 126.606 1.962 . . . . 0.0 116.177 -175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.71 164.39 21.48 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.142 3.228 . . . . 0.0 114.877 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.52 124.17 68.27 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 123.931 0.893 . . . . 0.0 111.807 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -85.32 -20.76 3.2 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.564 2.843 . . . . 0.0 114.527 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -96.45 -67.48 0.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -67.46 139.68 57.06 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.128 -0.983 . . . . 0.0 111.111 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 . . . . . 0 N--CA 1.476 0.847 0 C-N-CA 125.174 1.389 . . . . 0.0 112.319 175.789 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.3 tttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -99.97 146.89 26.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 172.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.25 158.34 30.69 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -71.51 158.93 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.827 1.651 . . . . 0.0 112.531 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 tp -67.71 78.22 0.2 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.773 1.229 . . . . 0.0 111.506 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -53.12 151.82 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.787 2.035 . . . . 0.0 113.557 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -152.21 150.66 30.07 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.324 1.05 . . . . 0.0 110.985 171.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -88.2 -25.93 22.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.893 1.277 . . . . 0.0 112.271 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -72.08 -35.66 69.31 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -153.6 152.7 31.17 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.249 1.02 . . . . 0.0 113.124 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.35 -4.21 89.6 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-O 118.45 -1.195 . . . . 0.0 115.128 170.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -77.33 145.88 37.09 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.07 1.935 . . . . 0.0 113.28 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -69.43 124.91 25.12 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.424 1.889 . . . . 0.0 114.892 -174.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -80.18 98.8 7.49 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.851 1.26 . . . . 0.0 111.561 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 p -78.39 157.86 28.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.743 2.017 . . . . 0.0 112.974 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.1 p -154.77 -141.31 0.1 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.195 0.998 . . . . 0.0 113.202 177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 179.24 1.63 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.357 2.663 . . . . 0.0 114.28 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.88 164.67 23.24 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.3 1.048 . . . . 0.0 112.22 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.3 129.99 44.77 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.851 0.834 . . . . 0.0 112.185 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 -18.11 35.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.952 1.263 . . . . 0.0 115.126 -175.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -70.54 139.53 51.56 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.613 1.707 . . . . 0.0 111.651 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -133.1 -21.65 2.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.234 1.813 . . . . 0.0 115.248 -166.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -56.07 -39.73 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -170.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -76.14 -48.96 18.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.858 1.263 . . . . 0.0 112.905 171.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -63.35 -34.5 77.84 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.599 -0.688 . . . . 0.0 112.807 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.25 -43.48 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.316 -0.865 . . . . 0.0 112.003 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -63.48 -36.2 82.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.869 0.868 . . . . 0.0 112.884 -177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.25 -44.83 58.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.842 0.457 . . . . 0.0 112.006 170.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.19 -44.02 97.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.95 1.3 . . . . 0.0 112.003 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.33 -13.71 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.359 1.464 . . . . 0.0 114.897 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -97.69 -33.28 11.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.447 1.099 . . . . 0.0 112.287 171.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -77.32 -45.05 27.43 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -93.02 -88.52 0.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.997 0.919 . . . . 0.0 110.277 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -157.63 164.41 37.26 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.416 1.086 . . . . 0.0 112.097 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.49 -30.9 68.88 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -168.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.1 p -82.43 2.81 30.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 173.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.85 154.09 42.14 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.595 1.089 . . . . 0.0 113.48 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -141.78 152.03 43.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.62 1.968 . . . . 0.0 111.079 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.11 172.79 42.88 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 121.188 -0.945 . . . . 0.0 114.8 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -149.03 168.74 22.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.957 1.303 . . . . 0.0 113.228 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.05 64.35 6.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.499 1.12 . . . . 0.0 112.764 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -67.39 126.95 30.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.946 1.298 . . . . 0.0 110.274 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.39 36.9 14.16 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.879 0.872 . . . . 0.0 113.289 -169.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 64.96 10.78 6.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 116.133 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.77 143.67 50.96 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.374 1.069 . . . . 0.0 112.081 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -66.88 126.96 30.73 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.734 0.778 . . . . 0.0 112.502 -169.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -138.9 116.11 11.07 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.159 1.783 . . . . 0.0 110.307 -168.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.0 m -89.02 154.26 20.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.849 2.06 . . . . 0.0 112.665 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -124.21 161.26 26.1 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.708 2.003 . . . . 0.0 112.349 -168.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 55.76 21.05 4.41 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.532 1.933 . . . . 0.0 115.697 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.53 164.07 26.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.468 1.507 . . . . 0.0 114.952 -170.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.03 168.03 7.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.757 1.623 . . . . 0.0 114.321 168.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -54.69 -24.48 22.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.633 1.973 . . . . 0.0 114.352 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -76.43 2.74 12.8 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.088 1.355 . . . . 0.0 114.564 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.13 157.45 33.63 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.06 150.15 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 126.515 1.926 . . . . 0.0 110.27 -172.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 m -115.0 177.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.747 1.219 . . . . 0.0 112.961 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -50.89 161.22 0.7 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.898 2.079 . . . . 0.0 113.6 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.315 0.1 OUTLIER 41.6 73.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.834 2.356 . . . . 0.0 114.592 -162.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 145.22 99.09 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 126.805 2.042 . . . . 0.0 111.902 -169.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -64.85 -21.65 64.12 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.264 1.976 . . . . 0.0 112.606 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -66.0 -49.68 66.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.374 1.07 . . . . 0.0 113.509 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.32 153.38 25.37 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.593 1.157 . . . . 0.0 112.949 -172.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 . . . . . 0 N--CA 1.484 1.253 0 C-N-CA 127.334 2.254 . . . . 0.0 112.365 177.409 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.6 tttt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -90.32 173.19 8.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.851 1.261 . . . . 0.0 111.125 169.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.82 160.89 34.63 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 120.855 -1.153 . . . . 0.0 115.523 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -79.48 160.8 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.551 1.141 . . . . 0.0 111.674 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 tp -98.61 113.89 26.12 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.395 0.678 . . . . 0.0 111.079 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -153.22 147.23 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 110.509 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -87.99 132.33 34.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.063 1.345 . . . . 0.0 110.761 170.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -56.16 -21.73 24.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.22 -34.01 75.45 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -161.18 138.02 8.68 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.8 1.182 . . . . 0.0 113.891 -169.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.46 13.16 12.0 Favored Glycine 0 CA--C 1.534 1.271 0 N-CA-C 115.853 1.101 . . . . 0.0 115.853 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 129.93 43.09 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.248 1.524 . . . . 0.0 110.096 169.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -71.82 130.0 40.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.787 1.235 . . . . 0.0 112.033 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -72.54 105.39 4.18 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 p -73.31 160.21 32.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 112.475 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.3 p -141.2 134.0 28.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.225 1.01 . . . . 0.0 110.373 172.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.73 71.68 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -168.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -150.42 139.47 21.06 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.414 1.006 . . . . 0.0 113.082 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 mt -66.68 142.63 57.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.871 1.268 . . . . 0.0 109.432 170.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.57 4.95 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.466 1.031 . . . . 0.0 115.333 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.71 51.14 1.44 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.524 1.662 . . . . 0.0 109.601 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -71.83 -17.01 62.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.405 -1.434 . . . . 0.0 114.64 -169.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.83 -26.79 48.29 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.36 1.064 . . . . 0.0 112.822 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.9 -55.11 16.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.051 0.94 . . . . 0.0 111.815 169.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.8 m -66.14 -29.65 69.98 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.187 -0.946 . . . . 0.0 113.409 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.91 -48.83 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.837 1.199 . . . . 0.0 110.747 172.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -60.98 -52.02 66.77 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -69.68 -28.33 65.77 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.158 -0.964 . . . . 0.0 112.885 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.2 t -70.12 -47.68 60.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.187 0.995 . . . . 0.0 112.002 172.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -67.15 -24.96 65.95 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.64 -19.95 47.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -84.32 -62.02 1.66 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.645 1.178 . . . . 0.0 112.333 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.44 -83.77 0.1 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.408 0.683 . . . . 0.0 111.364 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -155.94 156.22 34.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.563 1.145 . . . . 0.0 111.282 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -54.61 -31.0 56.34 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 m -75.46 -3.42 33.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.52 19.16 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -141.35 167.95 20.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.656 2.382 . . . . 0.0 112.238 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 177.83 46.46 Favored Glycine 0 CA--C 1.536 1.38 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -146.46 167.11 24.46 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.313 1.445 . . . . 0.0 112.84 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.7 t -88.38 130.02 35.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.281 1.032 . . . . 0.0 110.218 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -151.22 128.65 11.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.651 1.18 . . . . 0.0 110.783 -172.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.04 29.69 4.8 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -170.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.256 67.5 m-85 61.68 28.87 17.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.908 1.683 . . . . 0.0 114.913 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.02 149.34 45.97 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.231 1.812 . . . . 0.0 110.287 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.64 141.73 42.75 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.249 -1.532 . . . . 0.0 113.309 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -130.69 121.19 25.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.36 1.864 . . . . 0.0 109.763 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.5 m -86.88 147.06 25.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.507 1.523 . . . . 0.0 112.297 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 p -127.1 158.09 37.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.788 1.235 . . . . 0.0 112.819 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.7 m80 58.14 32.83 22.51 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.276 1.43 . . . . 0.0 113.544 175.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.48 170.54 15.13 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.015 -1.053 . . . . 0.0 111.671 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.5 167.92 1.78 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.371 1.468 . . . . 0.0 113.484 167.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.17 -24.44 59.0 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.542 -1.349 . . . . 0.0 113.18 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -77.41 13.27 1.25 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.131 1.372 . . . . 0.0 114.289 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.52 161.98 16.28 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.714 1.206 . . . . 0.0 113.431 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.5 t -127.93 137.09 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.995 1.718 . . . . 0.0 110.37 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.2 m -94.76 -157.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.489 1.116 . . . . 0.0 112.271 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -53.63 154.46 6.67 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 125.837 1.655 . . . . 0.0 113.972 -175.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.25 154.06 15.28 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.533 2.822 . . . . 0.0 115.289 -172.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.82 137.31 54.26 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.674 171.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -60.78 -22.01 72.07 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.245 2.63 . . . . 0.0 113.535 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.4 -37.79 84.73 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.488 1.515 . . . . 0.0 113.68 171.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -79.83 57.93 2.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.262 1.825 . . . . 0.0 112.511 -174.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 125.802 1.641 . . . . 0.0 112.426 -175.179 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.491 0.186 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -137.0 151.62 49.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.817 1.647 . . . . 0.0 112.327 -168.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.67 168.74 41.52 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 117.57 1.788 . . . . 0.0 117.57 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.11 131.15 43.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.6 1.96 . . . . 0.0 113.12 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.2 tp -83.16 128.11 34.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.81 150.15 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.383 1.873 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -72.47 151.94 42.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.852 0.861 . . . . 0.0 112.368 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.01 -8.55 58.32 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -171.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -129.8 -1.96 4.75 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t -158.8 142.44 15.11 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.752 1.221 . . . . 0.0 109.338 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 12.59 1.25 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 116.417 1.327 . . . . 0.0 116.417 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.5 m -70.4 118.66 13.49 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.092 1.446 . . . . 0.0 113.031 -176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -57.63 149.06 22.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.997 2.519 . . . . 0.0 114.432 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -87.54 105.42 17.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.479 -0.763 . . . . 0.0 110.126 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.7 p -73.16 148.42 43.86 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.006 1.722 . . . . 0.0 114.389 -172.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -125.54 153.17 44.03 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.797 1.639 . . . . 0.0 110.467 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.37 -26.82 13.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.003 1.321 . . . . 0.0 113.708 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -143.26 142.5 31.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.161 2.585 . . . . 0.0 110.037 -174.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -91.06 148.46 22.37 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 0.0 112.632 -169.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 -2.21 48.82 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 115.155 0.822 . . . . 0.0 115.155 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -72.01 158.23 36.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.849 1.66 . . . . 0.0 112.159 169.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -143.69 -28.52 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.31 -39.55 67.1 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.979 1.718 . . . . 0.0 113.086 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -68.88 -54.93 12.83 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.775 1.23 . . . . 0.0 112.779 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.83 -33.86 66.44 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -169.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.58 -46.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.391 0.996 . . . . 0.0 111.044 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -59.5 -54.59 44.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.163 0.985 . . . . 0.0 112.26 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -67.36 -28.67 68.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 112.953 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.05 -46.82 55.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.252 0.621 . . . . 0.0 112.371 172.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -68.27 -23.36 64.76 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.108 -0.995 . . . . 0.0 113.193 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.35 -25.35 46.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.912 0.885 . . . . 0.0 113.133 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -75.46 -49.33 19.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.103 0.865 . . . . 0.0 112.591 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.39 -69.72 0.83 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -170.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -169.69 158.58 7.66 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.793 1.237 . . . . 0.0 111.401 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -30.6 14.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.682 1.993 . . . . 0.0 115.581 -177.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -89.74 4.47 49.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 114.406 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.52 150.55 25.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.668 0.787 . . . . 0.0 110.883 170.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -135.59 175.51 9.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.811 1.244 . . . . 0.0 110.398 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.66 172.2 45.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.202 -0.936 . . . . 0.0 114.477 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -148.0 166.97 26.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.917 1.287 . . . . 0.0 112.475 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.1 m -85.07 126.98 34.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.64 0.776 . . . . 0.0 112.875 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -148.97 136.96 20.72 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.588 2.355 . . . . 0.0 109.744 -174.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.83 33.99 9.52 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.261 98.3 m-85 55.48 33.43 20.98 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.55 1.94 . . . . 0.0 114.654 -173.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.68 166.83 23.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.53 1.932 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 t -84.99 132.54 34.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.501 1.12 . . . . 0.0 111.846 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -123.52 114.06 19.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.48 1.912 . . . . 0.0 109.651 -175.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.0 m -80.79 153.28 27.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.192 1.397 . . . . 0.0 112.977 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.1 p -134.48 168.96 17.99 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.887 2.075 . . . . 0.0 110.98 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m80 64.38 24.21 13.17 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.02 1.328 . . . . 0.0 114.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.73 136.05 40.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.374 1.47 . . . . 0.0 114.1 -173.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 162.58 26.98 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.939 0.896 . . . . 0.0 111.261 166.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -58.45 -25.69 62.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.145 -0.972 . . . . 0.0 112.382 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -76.05 -0.19 20.9 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.955 1.302 . . . . 0.0 114.315 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.72 173.15 6.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.706 1.202 . . . . 0.0 113.642 176.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -114.27 116.85 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.898 1.279 . . . . 0.0 108.871 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.32 -28.05 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -170.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -75.21 164.67 59.66 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.215 0.606 . . . . 0.0 111.108 168.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.86 151.11 79.71 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.763 2.309 . . . . 0.0 111.995 172.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 tp -72.48 117.69 61.14 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.168 0.895 . . . . 0.0 111.268 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -77.94 -16.79 14.14 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.613 2.209 . . . . 0.0 112.56 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.94 -57.07 8.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.306 1.043 . . . . 0.0 112.3 -171.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -148.82 144.01 26.69 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.99 1.316 . . . . 0.0 112.847 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 124.807 1.243 . . . . 0.0 111.128 172.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.1 tttt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.83 148.7 39.63 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.649 1.58 . . . . 0.0 111.253 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.17 169.94 41.74 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.16 135.57 33.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.444 1.098 . . . . 0.0 111.169 -175.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -83.31 110.55 18.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.978 0.894 . . . . 0.0 111.483 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.94 156.46 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 126.192 1.797 . . . . 0.0 109.928 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.47 151.14 45.45 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -176.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -69.49 -26.76 64.71 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.12 -0.988 . . . . 0.0 113.177 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -97.58 -19.81 18.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -158.31 160.45 37.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.628 1.171 . . . . 0.0 112.108 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.23 11.42 8.57 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.331 -1.481 . . . . 0.0 116.088 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.47 116.83 7.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.682 1.193 . . . . 0.0 112.681 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -63.83 150.61 44.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.976 1.71 . . . . 0.0 112.395 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -104.58 106.2 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.999 0.92 . . . . 0.0 110.732 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.5 p -78.69 158.39 28.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.581 1.152 . . . . 0.0 113.872 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -112.65 139.38 48.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.874 1.67 . . . . 0.0 111.082 173.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.04 63.69 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.249 1.019 . . . . 0.0 112.475 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -148.55 148.12 29.82 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.88 1.272 . . . . 0.0 112.555 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.73 158.26 36.44 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.748 0.785 . . . . 0.0 110.65 168.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -15.91 9.41 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.42 127.36 31.6 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.804 1.802 . . . . 0.0 111.02 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -93.33 -68.46 0.8 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.018 0.927 . . . . 0.0 110.735 171.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -65.31 -20.96 66.64 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -58.36 -45.59 87.92 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.637 1.175 . . . . 0.0 111.273 169.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.2 t -81.58 -38.54 25.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.275 1.03 . . . . 0.0 111.457 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.94 -39.91 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.416 1.007 . . . . 0.0 110.93 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -56.22 -43.2 78.33 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.307 1.043 . . . . 0.0 112.382 173.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.85 -47.38 62.9 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.235 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.0 -47.13 87.1 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.708 0.803 . . . . 0.0 111.226 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -2.04 18.11 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.309 1.444 . . . . 0.0 114.457 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.98 -33.49 5.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.685 1.594 . . . . 0.0 113.299 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -75.2 -35.65 61.5 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.551 1.54 . . . . 0.0 112.245 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.05 -173.81 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.488 2.315 . . . . 0.0 109.595 174.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.78 148.64 2.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 170.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.87 -19.76 65.32 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.783 -1.198 . . . . 0.0 113.531 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -71.65 -3.99 24.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.841 1.256 . . . . 0.0 114.266 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.26 152.93 44.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.693 1.133 . . . . 0.0 113.628 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -131.03 -178.07 4.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.729 1.612 . . . . 0.0 110.819 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.46 -176.27 42.29 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-N 119.998 1.272 . . . . 0.0 116.162 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -163.08 171.45 16.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.826 2.05 . . . . 0.0 112.372 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.23 124.34 33.21 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.946 -1.096 . . . . 0.0 113.205 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.84 143.47 29.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.852 2.461 . . . . 0.0 108.941 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.84 34.21 21.5 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 120.021 1.282 . . . . 0.0 113.3 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 49.79 33.61 6.56 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.513 1.925 . . . . 0.0 114.177 -170.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.23 160.71 41.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.16 1.384 . . . . 0.0 112.082 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.35 115.2 14.75 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.432 -0.792 . . . . 0.0 112.216 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -99.92 106.14 17.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.878 2.071 . . . . 0.0 109.382 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.76 147.06 27.82 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.732 0.777 . . . . 0.0 111.683 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -135.69 169.73 17.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.914 1.685 . . . . 0.0 111.233 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 m80 64.08 22.77 13.02 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.325 1.45 . . . . 0.0 113.949 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 mt -83.13 166.02 19.02 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.914 1.685 . . . . 0.0 113.635 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -60.54 163.17 5.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.036 1.734 . . . . 0.0 113.533 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -61.82 -14.37 32.64 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -91.76 5.76 48.57 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 157.91 33.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 t -126.66 146.14 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.22 1.408 . . . . 0.0 112.782 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -80.47 -154.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.339 1.456 . . . . 0.0 113.177 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -62.04 140.81 95.87 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.79 1.636 . . . . 0.0 115.284 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -67.0 161.49 42.38 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.468 2.779 . . . . 0.0 111.422 168.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.86 152.06 96.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.207 -0.933 . . . . 0.0 112.311 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -60.69 -17.79 51.58 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.288 2.658 . . . . 0.0 113.069 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -54.4 -33.25 58.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.378 1.871 . . . . 0.0 113.058 168.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -80.86 71.66 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.902 1.281 . . . . 0.0 111.87 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 . . . . . 0 N--CA 1.484 1.275 0 C-N-CA 127.057 2.143 . . . . 0.0 115.556 -175.38 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.9 tttt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -130.0 163.8 25.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.788 1.235 . . . . 0.0 112.012 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.05 140.11 5.78 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -58.54 138.0 57.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.396 1.479 . . . . 0.0 112.555 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.5 tp -79.38 120.82 24.35 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.093 -1.004 . . . . 0.0 111.194 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.95 147.94 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.63 1.572 . . . . 0.0 110.563 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -80.87 142.26 33.79 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -70.89 -10.35 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -176.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.74 -35.24 0.8 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.281 1.032 . . . . 0.0 111.294 -174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -81.67 -24.37 36.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.204 1.001 . . . . 0.0 113.027 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.34 11.51 56.25 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.33 154.36 20.38 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.052 1.426 . . . . 0.0 114.202 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.99 161.58 8.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.213 2.205 . . . . 0.0 114.066 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -124.93 101.71 7.19 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.056 1.342 . . . . 0.0 110.279 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.2 p -81.57 149.01 28.84 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.63 173.9 16.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.229 1.412 . . . . 0.0 112.703 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.62 159.7 21.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.211 1.404 . . . . 0.0 112.8 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -53.66 123.67 12.9 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.8 mt 45.98 -110.11 0.24 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.434 1.893 . . . . 0.0 114.425 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -5.96 30.53 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.966 2.698 . . . . 0.0 116.233 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -78.61 41.2 0.4 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.265 2.033 . . . . 0.0 110.827 169.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -72.63 13.89 0.31 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.851 3.261 . . . . 0.0 117.165 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -58.84 -34.57 71.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -81.14 -39.09 26.12 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.445 1.098 . . . . 0.0 112.094 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.58 -47.16 82.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.189 0.996 . . . . 0.0 113.042 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.89 -37.76 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 121.287 -0.883 . . . . 0.0 111.557 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -66.3 -26.03 67.13 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.954 1.302 . . . . 0.0 114.21 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.1 -50.36 13.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.626 1.103 . . . . 0.0 110.756 167.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.55 -42.91 83.9 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.636 -0.665 . . . . 0.0 112.225 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -77.96 -6.92 55.97 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.6 mt -108.18 -23.37 11.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.242 1.017 . . . . 0.0 113.417 171.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -71.11 -49.62 42.33 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.762 1.625 . . . . 0.0 111.505 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -104.62 -167.52 1.36 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.207 1.803 . . . . 0.0 110.351 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 150.99 3.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.783 1.233 . . . . 0.0 114.064 167.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.21 -16.6 54.31 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -78.38 0.56 25.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.936 1.695 . . . . 0.0 114.519 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.31 165.12 16.98 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.382 0.992 . . . . 0.0 113.571 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -141.24 -176.56 4.75 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.138 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.94 170.42 37.98 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.115 -0.991 . . . . 0.0 114.906 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.36 168.67 19.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.337 1.455 . . . . 0.0 112.915 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -97.77 67.43 1.99 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 112.204 -169.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.55 122.03 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.201 1.401 . . . . 0.0 110.63 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.54 46.05 23.74 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.276 1.03 . . . . 0.0 113.197 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 60.18 19.81 9.16 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.142 1.777 . . . . 0.0 114.864 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.62 145.64 48.81 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.507 1.123 . . . . 0.0 112.36 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.16 130.79 43.03 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.068 0.937 . . . . 0.0 112.852 -169.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -132.0 109.31 9.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.977 2.511 . . . . 0.0 107.989 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -80.26 143.65 33.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.557 0.743 . . . . 0.0 112.014 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.4 p -138.72 171.42 14.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.8 1.64 . . . . 0.0 111.89 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.2 m80 59.18 34.18 23.07 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.374 1.07 . . . . 0.0 112.603 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.4 mt -92.56 151.8 19.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.272 1.429 . . . . 0.0 113.057 -173.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.09 171.25 11.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.754 2.422 . . . . 0.0 114.498 169.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.08 -26.8 61.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.186 0.995 . . . . 0.0 113.229 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -75.35 -0.97 21.61 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 140.89 34.06 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.047 1.294 . . . . 0.0 110.153 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.6 -63.25 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.28 15.6 t 61.62 -102.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 126.9 2.08 . . . . 0.0 114.689 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.8 m-90 -57.13 -32.43 13.33 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -64.52 4.77 0.53 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.677 2.918 . . . . 0.0 117.139 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.52 153.09 62.93 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.941 1.297 . . . . 0.0 112.097 169.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.51 -21.92 11.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.468 2.778 . . . . 0.0 115.518 -171.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -131.65 -63.63 0.82 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.253 1.388 . . . . 0.0 112.906 -174.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.358 0.0 OUTLIER 40.31 28.74 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 119.538 3.162 . . . . 0.0 119.538 177.62 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -92.18 137.01 32.72 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.875 1.27 . . . . 0.0 110.15 169.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.6 t -62.98 111.44 2.16 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -75.02 156.7 35.92 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.63 1.172 . . . . 0.0 110.832 170.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.659 0 O-C-N 120.608 -1.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.9 tttt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -87.0 171.19 10.94 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.181 0.992 . . . . 0.0 112.058 170.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.38 -179.21 44.85 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.173 0.892 . . . . 0.0 114.377 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -120.76 129.73 53.73 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.035 -1.273 . . . . 0.0 110.792 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -70.4 117.36 11.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.578 0.626 . . . . 0.0 111.69 -172.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 p -155.04 145.78 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 126.634 1.973 . . . . 0.0 109.356 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.81 110.88 14.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.339 -0.851 . . . . 0.0 109.818 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -59.47 -26.38 65.19 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -79.46 -44.09 22.0 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.057 -1.027 . . . . 0.0 111.769 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 p -144.5 104.34 4.05 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.558 1.943 . . . . 0.0 108.076 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.76 58.29 0.51 Allowed Glycine 0 N--CA 1.468 0.822 0 C-N-CA 126.859 2.171 . . . . 0.0 117.9 -166.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 144.84 56.43 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.031 0.915 . . . . 0.0 112.18 170.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -73.3 146.65 45.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.499 1.119 . . . . 0.0 112.546 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.27 89.1 2.99 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.435 1.494 . . . . 0.0 108.94 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 p -76.0 166.11 23.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.631 1.972 . . . . 0.0 114.228 -168.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -127.19 142.09 51.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.294 1.438 . . . . 0.0 110.166 168.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.23 -36.51 61.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.54 1.136 . . . . 0.0 112.467 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -151.77 168.08 26.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.485 1.514 . . . . 0.0 112.196 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.8 158.33 32.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.473 -0.767 . . . . 0.0 111.421 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.85 -2.61 54.29 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 116.584 1.393 . . . . 0.0 116.584 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.93 56.23 3.65 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.802 1.801 . . . . 0.0 110.448 169.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -60.89 -33.0 72.44 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.934 0.894 . . . . 0.0 111.766 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.01 -39.93 56.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.511 1.925 . . . . 0.0 113.826 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.19 -48.04 74.82 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.935 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 t -70.25 -33.45 71.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.917 0.887 . . . . 0.0 113.027 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.69 -49.83 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.818 0.847 . . . . 0.0 110.084 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.3 mtm-85 -62.1 -49.01 77.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.139 0.576 . . . . 0.0 112.266 174.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -60.27 -40.77 91.55 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.891 1.223 . . . . 0.0 113.649 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.58 -47.9 65.59 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.85 0.75 . . . . 0.0 111.325 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -71.3 -22.89 61.89 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.5 mt -80.63 -16.26 54.52 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 170.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -91.69 -33.81 14.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.178 0.991 . . . . 0.0 113.548 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -115.15 -76.83 0.57 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.931 0.892 . . . . 0.0 113.226 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.53 152.45 23.67 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.691 1.597 . . . . 0.0 110.897 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -62.4 -25.95 68.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -168.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -74.3 -9.46 58.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.48 158.9 32.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -135.68 177.85 7.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.959 2.104 . . . . 0.0 110.831 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.65 -175.91 47.66 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 114.951 0.741 . . . . 0.0 114.951 173.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.71 161.48 42.51 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.854 1.662 . . . . 0.0 112.426 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.1 132.29 35.11 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.321 -0.862 . . . . 0.0 111.731 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -154.61 140.66 18.37 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.094 0.958 . . . . 0.0 111.472 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.2 43.59 22.79 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 118.982 0.81 . . . . 0.0 112.951 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 58.7 27.92 16.56 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.65 2.38 . . . . 0.0 115.304 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.4 160.41 43.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.759 1.223 . . . . 0.0 112.525 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.75 123.43 31.9 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.006 -1.059 . . . . 0.0 112.506 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -102.06 129.98 48.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 109.165 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.74 150.36 20.47 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 112.432 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -139.91 167.55 21.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.213 1.405 . . . . 0.0 111.779 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.9 m80 62.94 8.97 3.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.787 2.435 . . . . 0.0 116.074 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.21 158.49 11.37 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.212 1.805 . . . . 0.0 112.452 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -56.55 148.9 18.48 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.98 -9.48 21.89 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -105.28 4.12 30.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 130.19 43.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.43 1.014 . . . . 0.0 113.024 -173.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 p -153.49 58.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 124.029 1.871 . . . . 0.0 110.604 -169.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.01 -30.11 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.679 1.592 . . . . 0.0 112.654 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.344 4.2 m-90 -80.01 -160.37 0.02 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 125.92 1.688 . . . . 0.0 115.156 -166.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.26 0.1 OUTLIER 36.21 64.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.093 2.529 . . . . 0.0 115.378 -161.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.67 127.43 92.63 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.005 0.922 . . . . 0.0 112.419 -173.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -71.31 -16.27 31.33 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.403 2.736 . . . . 0.0 115.007 -174.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -130.95 -26.38 2.18 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tptm 64.34 -29.23 0.1 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 119.293 3.072 . . . . 0.0 119.293 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -70.98 151.26 44.83 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.253 1.821 . . . . 0.0 112.509 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.0 t -75.91 162.02 28.47 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.245 1.418 . . . . 0.0 112.526 169.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -74.64 155.09 38.17 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.462 1.505 . . . . 0.0 113.231 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.596 0 O-C-N 121.042 -1.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 93.2 mttt . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 120.585 0.231 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -126.26 138.39 53.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.169 1.388 . . . . 0.0 109.117 169.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.63 -169.49 40.05 Favored Glycine 0 N--CA 1.47 0.905 0 N-CA-C 115.513 0.965 . . . . 0.0 115.513 -172.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -70.2 140.25 52.46 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.81 94.35 2.75 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 105.385 -2.08 . . . . 0.0 105.385 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.98 131.26 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.112 0.965 . . . . 0.0 111.969 -169.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -75.85 97.49 3.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.489 1.116 . . . . 0.0 110.504 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -26.53 55.07 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -72.23 -7.11 47.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.108 1.763 . . . . 0.0 115.157 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -147.63 -21.33 0.37 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.7 84.57 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.038 1.304 . . . . 0.0 114.891 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -76.88 141.49 40.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.989 0.894 . . . . 0.0 111.249 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' CD ' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -86.34 143.65 27.76 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 176.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -71.33 116.27 11.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.008 0.923 . . . . 0.0 109.911 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -75.14 165.25 25.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.115 1.366 . . . . 0.0 114.015 -173.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.5 m -120.38 141.23 50.28 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.576 1.55 . . . . 0.0 111.396 169.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.89 -17.8 58.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.693 1.197 . . . . 0.0 113.202 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -141.35 147.65 38.42 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.827 1.651 . . . . 0.0 113.127 173.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.88 154.47 28.34 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.148 . . . . 0.0 110.427 168.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.35 -12.61 1.77 Allowed Glycine 0 CA--C 1.539 1.592 0 N-CA-C 116.461 1.345 . . . . 0.0 116.461 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.49 140.07 48.01 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.627 -1.514 . . . . 0.0 110.112 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -111.12 -37.24 5.4 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.108 1.363 . . . . 0.0 112.934 -174.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -55.28 -45.64 76.17 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.7 -47.45 78.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.599 -0.688 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.62 -39.55 84.72 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.657 -0.687 . . . . 0.0 112.152 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.88 -48.17 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.322 1.419 . . . . 0.0 111.64 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.9 mtm-85 -62.6 -33.51 75.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.899 0.88 . . . . 0.0 113.183 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.48 -39.29 38.79 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -60.16 -49.71 76.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.471 1.032 . . . . 0.0 110.219 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -69.91 -7.0 36.68 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.9 mt -95.85 -37.17 10.84 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 0.0 113.045 169.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -81.27 -23.24 38.08 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -121.79 -171.12 2.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.005 2.122 . . . . 0.0 110.617 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -53.58 148.48 9.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.933 1.693 . . . . 0.0 112.623 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -62.95 -22.88 67.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.853 -1.154 . . . . 0.0 114.019 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -79.79 4.22 17.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.52 153.47 42.17 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.719 1.145 . . . . 0.0 114.06 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -140.29 164.51 29.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.822 2.049 . . . . 0.0 111.411 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.69 -174.97 41.04 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -157.74 171.15 20.83 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.901 2.08 . . . . 0.0 112.347 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.1 m -92.66 126.15 37.62 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -151.1 147.29 26.89 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.922 2.089 . . . . 0.0 110.179 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.65 36.67 14.52 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 61.06 19.55 10.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.556 1.943 . . . . 0.0 114.893 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.02 161.91 34.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.737 1.615 . . . . 0.0 112.269 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.9 t -77.99 129.76 35.68 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.707 0.765 . . . . 0.0 111.012 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -118.96 112.2 19.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.401 2.28 . . . . 0.0 109.526 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.6 m -99.36 146.34 26.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.46 0.704 . . . . 0.0 111.359 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.56 151.34 35.08 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.378 1.071 . . . . 0.0 112.679 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.7 m80 64.05 24.65 13.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.911 1.684 . . . . 0.0 114.914 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.34 163.47 18.07 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.372 1.469 . . . . 0.0 112.256 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.19 1.76 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.153 1.781 . . . . 0.0 114.66 172.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.7 -16.19 36.86 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -75.2 -9.04 58.19 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.47 156.41 38.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.047 0.927 . . . . 0.0 113.448 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -157.81 156.47 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 111.591 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -86.08 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.184 0.994 . . . . 0.0 109.056 167.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -66.99 -31.57 4.03 Favored Pre-proline 0 CA--C 1.56 1.353 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -87.16 54.12 2.8 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 123.267 2.645 . . . . 0.0 113.726 -170.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.22 129.54 79.59 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.858 1.263 . . . . 0.0 111.519 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.28 -25.02 31.21 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.527 2.151 . . . . 0.0 114.113 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -79.69 -44.22 21.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -169.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -145.81 160.21 42.09 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.159 2.184 . . . . 0.0 110.457 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -125.61 116.69 22.11 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.064 1.346 . . . . 0.0 113.069 -171.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.3 t -149.23 131.95 15.95 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.128 0.971 . . . . 0.0 112.085 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -90.33 -26.65 19.86 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.254 1.422 . . . . 0.0 113.656 171.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.58 0 O-C-N 121.253 -0.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.2 tttt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -135.59 144.11 45.99 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.305 1.442 . . . . 0.0 111.335 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.32 179.49 43.09 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 116.861 1.504 . . . . 0.0 116.861 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -73.75 128.55 35.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.967 1.707 . . . . 0.0 112.891 -174.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -77.72 121.66 24.32 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.485 -0.759 . . . . 0.0 112.367 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.54 150.5 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.828 1.251 . . . . 0.0 112.265 -171.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.88 111.65 12.64 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.131 -0.981 . . . . 0.0 111.046 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -59.73 -27.97 66.95 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -81.49 -54.97 4.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.028 0.931 . . . . 0.0 112.473 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 p -112.0 -3.55 14.76 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.54 78.78 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.254 1.407 . . . . 0.0 116.458 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.5 m -63.73 140.88 58.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.22 1.51 . . . . 0.0 113.647 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -89.04 140.17 29.71 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.999 1.319 . . . . 0.0 111.058 168.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -97.26 97.86 9.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.367 0.667 . . . . 0.0 111.622 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -73.68 152.36 40.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.452 1.501 . . . . 0.0 113.288 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -147.99 147.58 29.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.643 1.577 . . . . 0.0 110.479 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.73 -48.27 5.01 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -87.86 111.07 21.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.844 0.858 . . . . 0.0 110.732 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.3 mt -77.78 149.86 34.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.32 2.248 . . . . 0.0 112.965 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.43 -25.37 0.59 Allowed Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.526 1.536 . . . . 0.0 114.854 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.52 148.3 49.66 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.725 1.61 . . . . 0.0 112.815 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -110.54 -10.65 14.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.964 1.306 . . . . 0.0 113.884 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.68 -32.69 59.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 114.9 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -96.27 -39.45 9.65 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.917 1.287 . . . . 0.0 113.377 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.17 -23.39 41.09 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -170.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.05 -44.36 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.521 1.51 . . . . 0.0 111.23 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -58.58 -49.58 76.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.622 0.769 . . . . 0.0 112.244 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -62.24 -43.66 98.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.99 0.814 . . . . 0.0 111.711 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.6 t -60.21 -45.78 92.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.596 1.158 . . . . 0.0 111.843 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.23 -21.77 45.74 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.0 mt -81.48 -38.36 26.47 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.603 1.161 . . . . 0.0 112.155 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -69.94 -43.49 71.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.942 0.792 . . . . 0.0 112.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -106.44 -83.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.042 0.937 . . . . 0.0 112.999 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -150.54 148.41 28.65 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.806 1.242 . . . . 0.0 110.852 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -63.41 -22.22 66.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 -167.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -87.97 6.92 33.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.137 1.375 . . . . 0.0 114.485 173.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.5 166.31 22.91 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.876 -1.14 . . . . 0.0 112.765 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -149.09 148.72 30.01 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.798 1.239 . . . . 0.0 111.25 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.48 171.76 40.06 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 119.544 1.066 . . . . 0.0 115.015 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -148.53 171.15 16.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.885 1.274 . . . . 0.0 112.719 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.5 t -86.99 124.06 32.77 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -146.56 131.58 18.23 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.32 1.448 . . . . 0.0 111.672 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.82 46.38 24.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.102 1.361 . . . . 0.0 112.763 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.471 1.908 . . . . 0.0 115.665 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.96 157.83 44.09 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.869 -1.144 . . . . 0.0 112.109 170.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 130.95 41.46 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.336 -0.852 . . . . 0.0 111.584 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -102.72 136.1 43.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.538 2.335 . . . . 0.0 108.453 170.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.2 t -129.31 144.39 51.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.816 1.246 . . . . 0.0 110.866 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.3 p -127.14 171.77 11.12 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.349 1.46 . . . . 0.0 114.093 -167.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 62.37 28.89 17.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.221 2.208 . . . . 0.0 114.011 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -72.97 138.99 46.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.665 1.186 . . . . 0.0 113.179 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.21 150.87 40.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 166.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.72 -15.7 59.19 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.624 -1.298 . . . . 0.0 113.509 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -78.24 -5.13 50.99 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.02 151.23 45.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.325 1.05 . . . . 0.0 112.78 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -97.28 123.5 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.114 0.966 . . . . 0.0 110.626 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.8 -40.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.567 1.547 . . . . 0.0 112.472 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -69.93 145.97 94.79 Favored Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 121.132 -0.98 . . . . 0.0 112.744 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.94 141.74 66.29 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.512 2.808 . . . . 0.0 115.411 -171.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.33 155.24 84.07 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.217 1.007 . . . . 0.0 111.694 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.44 -30.06 5.52 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.908 2.406 . . . . 0.0 113.683 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -97.4 -50.31 4.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.727 0.811 . . . . 0.0 111.108 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 52.34 24.42 2.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.545 3.138 . . . . 0.0 117.303 170.547 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -75.33 83.78 2.46 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.764 1.625 . . . . 0.0 110.269 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 t -60.44 138.87 57.93 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.001 1.721 . . . . 0.0 114.249 -168.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 78.0 mttt 61.46 14.88 6.19 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 127.499 2.32 . . . . 0.0 115.669 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 120.449 -1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.3 tttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.92 169.07 18.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.952 0.901 . . . . 0.0 113.314 -167.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.15 160.13 23.02 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.64 147.21 52.22 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.006 1.322 . . . . 0.0 111.276 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -80.21 132.46 35.88 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.789 -1.194 . . . . 0.0 112.29 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.0 151.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.61 1.164 . . . . 0.0 111.875 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.19 155.56 34.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 122.579 1.181 . . . . 0.0 112.921 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -72.98 -30.59 63.94 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.848 -1.157 . . . . 0.0 111.249 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -85.79 -23.77 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -158.84 156.64 30.04 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.002 -1.061 . . . . 0.0 112.901 -173.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.03 10.36 20.37 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.942 1.258 . . . . 0.0 115.659 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.2 m -71.07 133.9 46.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.879 1.339 . . . . 0.0 113.689 -171.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.97 155.05 39.6 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.597 1.559 . . . . 0.0 113.298 172.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.64 101.76 9.4 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 110.013 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 p -77.64 143.74 37.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 113.114 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.5 m -98.51 149.75 22.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.671 1.188 . . . . 0.0 108.86 169.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.65 -26.11 62.41 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -143.58 152.35 41.3 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.591 1.956 . . . . 0.0 111.442 169.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD21 ' H ' ' A' ' 44' ' ' PHE . 85.2 mt -61.98 136.01 57.79 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 167.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.63 5.82 89.22 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -76.6 50.03 0.65 Allowed 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.439 2.12 . . . . 0.0 112.297 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -56.94 -37.39 71.47 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.957 1.303 . . . . 0.0 113.869 -166.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.27 59.19 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.397 1.479 . . . . 0.0 113.843 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -75.39 -46.84 30.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.779 1.232 . . . . 0.0 111.655 170.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -65.1 -37.25 86.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.163 -0.96 . . . . 0.0 112.528 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.36 -48.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.041 0.937 . . . . 0.0 110.773 173.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -57.45 -58.12 9.69 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.001 1.321 . . . . 0.0 112.096 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.07 -35.51 79.98 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -174.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.3 t -66.47 -47.38 73.28 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.364 0.983 . . . . 0.0 111.303 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.38 -21.78 61.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.6 mt -79.92 -35.3 38.06 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.495 170.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -78.93 -48.19 15.02 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -95.61 -75.1 0.53 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.368 1.067 . . . . 0.0 111.578 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -161.19 153.63 20.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.132 0.973 . . . . 0.0 112.3 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -58.67 -26.86 64.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -92.24 6.34 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 150.21 49.28 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.185 0.902 . . . . 0.0 112.969 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -121.59 179.22 4.53 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.129 1.772 . . . . 0.0 109.868 171.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.46 -178.94 48.34 Favored Glycine 0 CA--C 1.533 1.203 0 O-C-N 121.111 -0.993 . . . . 0.0 115.073 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -152.55 168.1 26.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.82 2.048 . . . . 0.0 112.589 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -101.87 121.23 41.71 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.254 1.022 . . . . 0.0 111.269 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -151.93 147.04 26.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.021 1.729 . . . . 0.0 109.856 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.21 40.23 25.57 Favored 'General case' 0 CA--C 1.551 1.009 0 O-C-N 121.002 -1.061 . . . . 0.0 112.52 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.418 ' H ' HD21 ' A' ' 19' ' ' LEU . 30.4 m-85 57.49 8.72 0.66 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.878 2.871 . . . . 0.0 116.891 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.9 160.95 34.23 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.765 1.226 . . . . 0.0 113.404 -173.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.8 129.09 37.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -122.14 117.94 27.48 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.746 2.018 . . . . 0.0 109.787 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.1 m -80.29 149.5 30.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.009 1.324 . . . . 0.0 112.829 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.0 p -132.95 162.43 31.66 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.997 1.719 . . . . 0.0 112.566 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 58.76 30.44 20.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.966 1.706 . . . . 0.0 113.968 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.26 151.06 44.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.442 1.497 . . . . 0.0 114.077 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.28 154.6 37.73 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.147 0.975 . . . . 0.0 111.568 166.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -60.44 -16.75 39.17 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.817 -1.177 . . . . 0.0 113.184 174.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.09 -8.68 59.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.22 1.408 . . . . 0.0 114.146 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 151.26 46.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.646 1.179 . . . . 0.0 113.958 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.81 134.67 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.245 1.418 . . . . 0.0 112.225 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 -61.77 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.083 1.353 . . . . 0.0 113.456 -169.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -83.0 -30.34 0.48 Allowed Pre-proline 0 N--CA 1.48 1.055 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -70.47 16.68 0.25 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.444 3.429 . . . . 0.0 116.94 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.43 117.9 45.2 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 119.592 1.087 . . . . 0.0 109.552 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.04 -26.5 10.79 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 121.998 1.799 . . . . 0.0 114.786 -169.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -142.51 -32.5 0.49 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 117.589 2.44 . . . . 0.0 117.589 -166.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -66.25 105.54 1.44 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.452 1.024 . . . . 0.0 111.981 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.39 142.56 46.97 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 126.301 1.84 . . . . 0.0 112.361 -174.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.9 t -164.25 137.85 5.29 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.28 1.432 . . . . 0.0 112.006 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -64.79 -32.48 74.19 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.119 1.368 . . . . 0.0 113.333 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 121.285 -0.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.594 0.235 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.64 160.71 31.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.431 1.493 . . . . 0.0 110.607 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.2 173.1 39.98 Favored Glycine 0 N--CA 1.47 0.902 0 O-C-N 120.951 -1.093 . . . . 0.0 114.016 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -74.9 148.39 40.17 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -76.39 143.73 40.5 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 110.845 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.95 153.42 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.321 1.448 . . . . 0.0 111.484 -170.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.15 157.44 13.18 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.326 1.05 . . . . 0.0 112.661 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -93.44 -10.92 33.45 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.855 1.262 . . . . 0.0 114.156 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -111.88 -44.8 3.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.762 1.225 . . . . 0.0 113.446 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 p -107.37 163.08 13.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.512 1.125 . . . . 0.0 112.672 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.28 9.79 5.32 Favored Glycine 0 CA--C 1.54 1.632 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.0 m -78.36 123.05 26.56 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.063 1.432 . . . . 0.0 112.565 -174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -66.99 158.92 29.73 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.364 1.065 . . . . 0.0 111.88 168.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.42 112.38 12.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 110.74 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.8 p -81.64 145.73 30.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.823 0.849 . . . . 0.0 112.547 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.6 m -114.25 158.26 21.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.124 1.769 . . . . 0.0 111.205 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.27 -34.53 14.21 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -146.87 158.66 43.98 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.291 1.436 . . . . 0.0 112.948 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.41 155.45 37.4 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.69 -0.07 82.93 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.755 -1.216 . . . . 0.0 115.549 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -90.5 29.07 1.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.188 1.395 . . . . 0.0 111.17 167.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -52.8 -29.91 30.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.463 2.705 . . . . 0.0 115.867 -167.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.12 -20.46 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.819 1.19 . . . . 0.0 113.102 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -56.5 -52.49 64.54 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.37 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -72.77 -29.81 63.61 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.55 -52.72 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.989 0.813 . . . . 0.0 110.176 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 ttp-105 -61.78 -57.87 10.19 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 125.467 1.507 . . . . 0.0 113.109 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.47 -30.74 71.56 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.315 -0.865 . . . . 0.0 112.783 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -74.13 -44.53 53.41 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.765 0.711 . . . . 0.0 112.106 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -22.33 63.5 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -78.2 -18.98 54.75 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 169.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -90.97 -64.99 1.05 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.355 1.062 . . . . 0.0 113.608 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -93.42 -57.15 2.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -168.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -156.83 142.7 17.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.597 0.759 . . . . 0.0 111.447 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.63 -17.53 64.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 m -89.07 3.85 50.36 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.63 1.572 . . . . 0.0 113.906 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 164.09 14.24 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.66 -1.275 . . . . 0.0 112.974 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -152.62 152.72 32.13 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.61 1.164 . . . . 0.0 110.935 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.33 39.79 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 123.385 0.517 . . . . 0.0 114.305 -170.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -161.16 176.56 11.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.631 1.572 . . . . 0.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -98.06 141.14 31.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.185 0.994 . . . . 0.0 109.89 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -148.4 134.3 19.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.439 1.096 . . . . 0.0 109.769 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.22 55.14 6.6 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.209 1.004 . . . . 0.0 113.032 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 57.63 11.21 1.21 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.76 155.03 50.51 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.651 1.114 . . . . 0.0 112.816 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -69.71 158.64 35.0 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.283 1.433 . . . . 0.0 113.113 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -146.2 132.34 19.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.419 1.088 . . . . 0.0 112.565 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.9 m -109.4 145.29 36.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.477 2.311 . . . . 0.0 111.349 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.7 p -117.69 155.49 29.85 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 61.07 18.73 9.27 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.844 2.458 . . . . 0.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.47 148.19 33.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.485 1.514 . . . . 0.0 112.0 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 158.99 20.29 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.1 pm0 -56.11 -23.38 33.89 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.398 1.479 . . . . 0.0 113.261 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -79.2 -4.61 51.39 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.55 146.14 34.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.832 -1.168 . . . . 0.0 113.178 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.36 138.0 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.827 1.651 . . . . 0.0 109.832 170.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.68 -4.81 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -172.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -59.77 147.94 77.16 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.32 125.92 14.64 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.27 3.313 . . . . 0.0 114.317 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.54 138.23 40.91 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.646 1.978 . . . . 0.0 112.686 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.32 -22.1 60.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.553 2.169 . . . . 0.0 112.585 172.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.16 -68.45 0.17 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.485 1.914 . . . . 0.0 112.926 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -140.86 120.0 12.88 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.347 1.059 . . . . 0.0 111.87 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.35 136.77 57.87 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.522 1.529 . . . . 0.0 113.391 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.8 m -104.25 130.61 52.04 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.9 0.88 . . . . 0.0 111.436 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -158.23 141.96 15.46 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.304 1.842 . . . . 0.0 110.967 173.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.765 0 O-C-N 120.634 -1.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.7 tttt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.783 -0.081 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.23 168.25 19.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.759 1.623 . . . . 0.0 110.884 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.41 169.78 37.56 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.75 126.32 30.8 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.514 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 133.62 50.04 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.387 -0.821 . . . . 0.0 111.388 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.12 139.96 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.855 0.862 . . . . 0.0 110.979 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -70.9 124.56 24.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.019 0.927 . . . . 0.0 112.351 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -66.04 -24.19 66.69 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -83.59 -58.62 2.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.88 0.872 . . . . 0.0 111.88 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -92.09 -20.27 21.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.91 4.97 90.39 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.47 1.033 . . . . 0.0 114.663 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -85.23 158.58 20.3 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -66.34 156.49 34.32 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.83 1.652 . . . . 0.0 113.421 169.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.53 147.57 22.87 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.799 1.239 . . . . 0.0 111.389 171.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -74.8 167.55 21.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.929 0.891 . . . . 0.0 112.507 169.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.71 162.36 29.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.224 1.41 . . . . 0.0 112.977 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.22 178.37 3.92 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.937 1.295 . . . . 0.0 111.963 168.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -55.47 146.53 19.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.272 1.029 . . . . 0.0 110.79 169.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -51.06 143.83 9.94 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -167.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.84 -6.95 79.6 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 126.05 1.786 . . . . 0.0 115.726 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -62.45 135.89 57.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.092 1.446 . . . . 0.0 111.45 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.4 65.87 1.24 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.496 1.519 . . . . 0.0 110.876 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -134.85 -64.44 0.66 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.313 1.845 . . . . 0.0 112.311 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -91.47 -41.45 10.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.311 -0.868 . . . . 0.0 112.504 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.55 -35.91 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.058 0.943 . . . . 0.0 111.714 169.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.52 -45.14 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.955 0.902 . . . . 0.0 111.77 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -65.87 -53.38 40.4 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 111.242 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.63 -36.07 75.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.226 0.921 . . . . 0.0 112.871 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -63.6 -55.32 24.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.916 0.78 . . . . 0.0 111.348 170.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.03 -6.07 39.66 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 -26.57 15.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.899 1.68 . . . . 0.0 112.914 168.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.83 -40.97 24.02 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.284 1.033 . . . . 0.0 112.236 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.82 -171.57 2.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.822 2.049 . . . . 0.0 109.943 171.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.9 154.09 15.9 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.526 0.73 . . . . 0.0 112.514 166.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 pm0 -64.22 -17.06 63.2 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -65.1 -17.3 64.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.039 1.736 . . . . 0.0 115.277 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.57 175.9 3.84 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -150.75 -170.47 3.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.294 1.438 . . . . 0.0 110.835 172.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.59 179.24 43.26 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 119.998 1.272 . . . . 0.0 115.711 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -158.08 164.75 36.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.249 1.42 . . . . 0.0 113.499 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 98.3 m -87.52 136.34 32.98 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.0 1.32 . . . . 0.0 113.067 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -155.03 141.08 18.37 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.696 1.198 . . . . 0.0 110.676 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.17 33.72 18.62 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 59.07 27.4 16.34 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.53 1.932 . . . . 0.0 114.394 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -140.83 162.36 35.63 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.338 1.055 . . . . 0.0 113.11 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.4 t -92.71 132.9 36.53 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.219 1.007 . . . . 0.0 113.225 -169.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -117.38 125.16 50.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.01 1.724 . . . . 0.0 110.48 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.0 m -97.01 142.41 28.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.355 1.062 . . . . 0.0 112.45 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.8 p -127.55 166.55 17.79 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.234 1.414 . . . . 0.0 111.834 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.4 m80 60.98 39.84 16.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.039 1.736 . . . . 0.0 113.817 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -89.21 148.55 23.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.063 1.345 . . . . 0.0 111.061 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -62.08 145.44 53.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.251 0.548 . . . . 0.0 112.323 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.64 -26.85 65.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.39 -0.819 . . . . 0.0 112.708 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -76.43 1.08 17.42 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.8 159.94 24.99 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.553 1.141 . . . . 0.0 112.158 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -138.83 132.11 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.554 1.142 . . . . 0.0 109.246 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -117.95 -11.72 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -168.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -56.36 151.76 26.89 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.85 143.92 8.74 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 125.45 4.1 . . . . 0.0 115.366 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.51 116.54 41.27 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.954 0.902 . . . . 0.0 109.208 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -67.73 -22.08 44.03 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.101 1.867 . . . . 0.0 112.814 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -85.63 -52.94 5.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.76 1.224 . . . . 0.0 113.299 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -63.04 157.04 23.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.298 1.439 . . . . 0.0 113.131 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.4 95.55 2.55 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.802 1.241 . . . . 0.0 112.797 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.81 148.36 51.42 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.568 1.547 . . . . 0.0 113.477 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -56.09 -35.73 67.35 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.626 0 O-C-N 120.428 -1.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.9 tttt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.19 160.39 16.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.13 1.372 . . . . 0.0 110.516 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.39 34.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -63.4 149.77 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 0.0 111.813 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.37 92.42 5.81 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.918 0.887 . . . . 0.0 109.425 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -78.68 135.96 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -169.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -136.82 147.38 46.55 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.556 1.17 . . . . 0.0 112.885 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -88.59 -30.42 19.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.073 . . . . 0.0 112.576 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -82.39 -37.41 25.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.598 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -112.35 133.49 54.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.197 1.799 . . . . 0.0 111.564 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.62 -28.07 15.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.172 0.892 . . . . 0.0 113.107 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m -81.91 148.41 28.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.979 0.912 . . . . 0.0 112.181 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -53.47 136.89 37.27 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.912 1.685 . . . . 0.0 113.835 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -69.14 127.95 34.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.975 0.893 . . . . 0.0 111.351 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -78.0 152.98 32.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.981 1.712 . . . . 0.0 113.286 -170.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.65 147.78 47.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.146 1.378 . . . . 0.0 109.907 169.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.04 -31.9 21.73 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -167.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -150.71 136.77 18.41 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.74 0.816 . . . . 0.0 111.678 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.73 142.3 55.02 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.512 1.125 . . . . 0.0 110.434 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.55 -26.59 3.06 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.697 1.142 . . . . 0.0 115.322 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -80.29 69.07 6.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.408 1.604 . . . . 0.0 110.164 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -85.93 -14.31 45.13 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.25 -31.14 70.94 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -167.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -74.85 -35.69 62.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.066 1.303 . . . . 0.0 113.011 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.85 -38.23 84.84 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.953 -1.092 . . . . 0.0 111.688 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.53 -45.33 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.144 -0.973 . . . . 0.0 111.905 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -54.3 -52.41 61.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.266 1.026 . . . . 0.0 111.29 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.4 -44.63 95.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.82 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -61.73 -43.68 98.38 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.943 0.792 . . . . 0.0 111.264 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -81.09 -8.08 59.69 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.2 -27.17 13.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.723 0.809 . . . . 0.0 112.786 169.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -73.66 -48.96 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.563 1.545 . . . . 0.0 111.892 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.59 -167.29 1.42 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.551 1.54 . . . . 0.0 110.735 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.05 152.66 3.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 170.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -56.31 -18.46 10.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -99.78 7.89 44.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.704 1.202 . . . . 0.0 113.23 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.37 160.4 19.07 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -138.7 -179.1 5.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.098 1.359 . . . . 0.0 111.008 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.66 -177.2 48.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.229 -0.919 . . . . 0.0 115.362 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.71 163.03 40.84 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.415 1.486 . . . . 0.0 113.739 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -85.39 119.3 25.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 110.55 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -143.06 128.82 19.32 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 111.022 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.26 34.48 11.56 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.167 0.987 . . . . 0.0 112.934 -170.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.253 84.3 m-85 59.75 27.69 17.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.677 1.991 . . . . 0.0 115.396 -174.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.89 149.38 47.61 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.593 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.1 t -72.84 131.53 42.38 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.369 -0.832 . . . . 0.0 112.322 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -132.63 134.82 45.36 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.896 1.679 . . . . 0.0 110.183 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.6 m -96.45 148.33 22.91 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.995 0.902 . . . . 0.0 112.821 -170.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -143.81 166.08 25.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.803 1.641 . . . . 0.0 111.35 -172.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.4 m80 57.74 34.43 24.43 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.259 1.023 . . . . 0.0 112.998 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.92 156.36 18.5 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.202 1.801 . . . . 0.0 113.145 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.55 155.81 24.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.353 1.461 . . . . 0.0 113.212 168.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -66.24 -15.61 63.33 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.88 -1.138 . . . . 0.0 112.588 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -5.45 26.64 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 170.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.5 143.37 51.71 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.822 1.646 . . . . 0.0 111.969 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.14 148.94 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.107 1.763 . . . . 0.0 110.515 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.64 -38.69 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -65.49 -27.98 2.4 Favored Pre-proline 0 CA--C 1.554 1.116 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -64.02 14.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.685 3.59 . . . . 0.0 118.857 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.65 100.35 7.06 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.784 1.234 . . . . 0.0 110.812 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.4 -2.81 12.29 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.056 2.504 . . . . 0.0 112.653 168.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.45 -68.7 0.29 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.096 1.759 . . . . 0.0 115.312 -168.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -147.18 132.32 18.32 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.83 150.3 21.42 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.234 2.214 . . . . 0.0 111.609 170.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.8 t -74.76 123.02 24.19 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -65.57 129.32 39.34 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.599 -0.688 . . . . 0.0 110.059 169.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.706 0 O-C-N 121.104 -0.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 tttm . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -127.38 164.16 22.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.559 1.143 . . . . 0.0 111.721 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.98 158.47 30.56 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 115.698 1.039 . . . . 0.0 115.698 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -79.01 142.43 36.6 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.829 -0.806 . . . . 0.0 112.071 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.0 14.22 0.56 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -171.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.5 p -49.62 132.42 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.041 1.336 . . . . 0.0 111.753 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -84.56 74.62 10.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.175 1.39 . . . . 0.0 109.45 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -40.93 -7.76 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 1 C-N-CA 132.011 4.124 . . . . 0.0 119.727 -168.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.76 -23.17 67.07 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.803 1.241 . . . . 0.0 110.361 164.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.2 p -141.04 173.96 10.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.212 2.605 . . . . 0.0 110.258 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.72 10.91 68.1 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.986 -1.072 . . . . 0.0 115.295 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.51 139.79 57.01 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.487 1.515 . . . . 0.0 114.776 -168.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -82.6 160.56 22.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.907 2.083 . . . . 0.0 114.459 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -129.1 83.33 2.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.201 1.4 . . . . 0.0 111.829 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -72.97 149.44 43.33 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.232 1.413 . . . . 0.0 113.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -139.51 112.09 7.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.236 2.215 . . . . 0.0 108.681 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.75 0.43 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -146.18 160.97 41.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.752 2.021 . . . . 0.0 110.193 -175.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.4 mt -106.53 157.32 17.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.305 0.642 . . . . 0.0 110.075 168.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.26 -26.02 1.27 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.275 1.417 . . . . 0.0 116.465 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -76.88 66.2 2.71 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.548 1.674 . . . . 0.0 112.495 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -63.47 -21.15 66.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.559 1.544 . . . . 0.0 115.0 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -49.56 -47.92 48.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.935 1.694 . . . . 0.0 113.049 -170.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.29 -46.85 85.33 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.207 -0.933 . . . . 0.0 113.063 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.4 m -69.24 -30.6 68.77 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.68 -52.98 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.773 1.17 . . . . 0.0 110.027 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -57.36 -42.5 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.737 1.215 . . . . 0.0 113.318 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -77.16 -34.68 56.41 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.01 -41.32 74.47 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.705 1.139 . . . . 0.0 112.268 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -67.47 -5.17 13.72 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -106.04 -28.08 10.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.616 1.167 . . . . 0.0 113.149 171.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -67.47 -54.78 17.24 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.646 1.178 . . . . 0.0 111.386 168.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -100.05 -176.98 3.4 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.25 1.82 . . . . 0.0 109.449 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -56.0 155.96 5.83 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.885 1.274 . . . . 0.0 113.321 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -61.42 -18.95 61.23 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -170.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.7 m -80.35 -4.64 54.28 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.44 158.64 35.92 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.051 1.296 . . . . 0.0 113.485 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -141.19 162.81 34.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.079 1.752 . . . . 0.0 111.271 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.7 173.85 41.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 121.781 -0.575 . . . . 0.0 114.135 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -146.78 168.5 21.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.887 1.275 . . . . 0.0 113.567 -176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.1 m -82.52 60.63 5.25 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.733 1.213 . . . . 0.0 111.633 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.78 115.18 3.48 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.128 0.971 . . . . 0.0 110.531 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 46.96 52.87 11.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 121.948 0.88 . . . . 0.0 112.484 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 67.5 16.75 9.99 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.05 154.06 39.75 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.761 -1.212 . . . . 0.0 112.718 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -74.27 132.78 42.42 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -169.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -135.71 121.78 20.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.379 1.871 . . . . 0.0 110.597 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.6 m -81.98 150.17 27.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.644 1.578 . . . . 0.0 112.765 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -132.06 159.42 38.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.008 1.723 . . . . 0.0 111.933 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 65.06 14.48 9.39 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.37 162.63 29.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.183 1.393 . . . . 0.0 113.088 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.0 172.45 0.42 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 113.831 167.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.43 -14.81 54.39 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.616 -1.302 . . . . 0.0 113.524 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -85.0 18.49 2.47 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.94 27.46 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.617 -1.302 . . . . 0.0 113.338 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.27 131.06 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.03 1.332 . . . . 0.0 111.989 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 m -97.83 171.39 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.012 1.325 . . . . 0.0 112.867 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -70.09 -28.4 1.39 Allowed Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 -169.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -72.58 119.72 6.28 Favored 'Trans proline' 0 C--N 1.353 0.764 0 CA-C-N 123.485 2.28 . . . . 0.0 111.107 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.2 133.27 22.21 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.153 0.981 . . . . 0.0 109.781 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.28 -23.69 38.45 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.65 2.233 . . . . 0.0 114.035 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -138.28 -45.26 0.51 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.753 1.221 . . . . 0.0 113.003 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.46 135.38 57.64 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 120.038 1.29 . . . . 0.0 112.494 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -160.23 104.61 1.48 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.868 1.667 . . . . 0.0 112.193 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.0 m -75.09 149.87 39.0 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -79.98 155.53 27.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.965 0.906 . . . . 0.0 110.948 168.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.575 -1.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.386 0.136 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.53 154.41 21.78 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.75 0.82 . . . . 0.0 111.003 168.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.85 141.11 11.3 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -80.91 107.37 13.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.146 2.178 . . . . 0.0 110.987 175.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.7 tp -78.07 110.33 12.93 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.763 -0.586 . . . . 0.0 112.1 -175.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.09 138.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.952 1.301 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.67 84.16 1.6 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 168.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -54.88 -2.84 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 118.972 2.952 . . . . 0.0 118.972 -167.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -70.59 -15.4 62.75 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.841 0.856 . . . . 0.0 111.043 163.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -134.63 154.42 51.52 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 129.871 3.269 . . . . 0.0 110.038 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.65 -20.42 56.26 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.76 107.98 14.03 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 118.909 1.354 . . . . 0.0 112.296 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 164.35 10.24 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.101 1.761 . . . . 0.0 114.664 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -66.82 117.46 8.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.556 1.142 . . . . 0.0 112.728 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -79.28 156.82 27.91 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.448 1.499 . . . . 0.0 113.193 176.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -130.14 146.13 51.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.914 1.686 . . . . 0.0 110.042 169.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.6 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.445 -0.785 . . . . 0.0 111.979 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.96 152.55 29.25 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.368 1.867 . . . . 0.0 111.293 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -86.67 153.59 21.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.273 1.029 . . . . 0.0 112.235 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.11 -26.77 1.47 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.67 1.129 . . . . 0.0 115.423 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.6 144.99 35.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.509 1.124 . . . . 0.0 112.25 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -137.41 -21.04 1.18 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -170.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.18 -47.08 75.72 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 121.934 2.152 . . . . 0.0 113.433 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -67.9 -49.01 64.36 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.705 1.602 . . . . 0.0 112.396 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.2 t -64.35 -40.22 95.42 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.494 -0.754 . . . . 0.0 112.488 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.74 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.68 1.192 . . . . 0.0 111.009 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.81 -51.08 71.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.919 1.287 . . . . 0.0 112.421 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.37 -33.77 73.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.604 -0.685 . . . . 0.0 112.602 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.74 -49.19 66.79 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.151 0.887 . . . . 0.0 111.652 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -70.01 -15.03 62.96 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.74 -17.81 29.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 113.105 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -85.28 -44.49 12.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.357 1.063 . . . . 0.0 112.161 171.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.44 -151.31 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.296 1.839 . . . . 0.0 110.543 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.73 157.71 28.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.745 2.018 . . . . 0.0 112.644 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -62.92 -22.28 66.65 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.2 p -80.12 4.19 18.1 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.98 161.68 28.41 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 120.361 -1.462 . . . . 0.0 114.101 172.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -146.83 171.26 15.46 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.633 1.973 . . . . 0.0 110.378 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.8 176.03 45.48 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.864 1.221 . . . . 0.0 113.928 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -151.63 167.56 27.75 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 118.246 1.023 . . . . 0.0 113.718 172.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.56 118.45 20.7 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.94 0.896 . . . . 0.0 112.962 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -140.16 133.59 30.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.019 2.528 . . . . 0.0 110.235 -174.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.98 24.06 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.947 1.299 . . . . 0.0 113.402 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 55.7 30.9 16.38 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.133 2.173 . . . . 0.0 114.603 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.09 160.29 40.67 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.271 1.828 . . . . 0.0 110.459 173.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.46 149.56 45.75 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.632 -1.292 . . . . 0.0 111.688 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -142.67 112.23 6.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.679 1.592 . . . . 0.0 109.484 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.8 m -75.65 148.06 39.0 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.738 0.815 . . . . 0.0 111.33 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -129.94 154.7 47.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.957 0.903 . . . . 0.0 112.477 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.9 m80 64.63 18.5 11.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.4 mt -75.12 168.27 20.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.897 1.279 . . . . 0.0 113.473 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.75 167.29 17.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.747 1.219 . . . . 0.0 114.223 169.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -60.93 -17.87 53.57 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.735 1.214 . . . . 0.0 113.388 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -80.88 1.35 31.21 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 143.61 57.8 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.602 -1.311 . . . . 0.0 113.6 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.7 t -75.98 147.27 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.389 1.476 . . . . 0.0 110.93 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.47 -171.86 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.433 1.093 . . . . 0.0 112.905 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 14.3 m-90 -37.16 142.82 0.37 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 128.723 2.809 . . . . 0.0 116.114 -171.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo 31.07 91.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.993 1 C-N-CA 127.06 5.173 . . . . 0.0 117.049 177.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.3 117.09 14.67 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.653 1.581 . . . . 0.0 112.274 -171.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.54 -13.01 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.99 2.46 . . . . 0.0 113.555 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -77.08 -36.52 55.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.158 1.383 . . . . 0.0 113.71 -174.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -151.55 129.97 12.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.601 1.561 . . . . 0.0 109.826 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -109.12 111.32 22.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.654 1.181 . . . . 0.0 110.741 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.0 t -80.41 140.75 35.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.62 1.568 . . . . 0.0 112.221 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -76.62 -14.36 59.99 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 121.468 -0.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 tttt . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 119.931 -0.08 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.17 161.51 13.56 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.431 1.092 . . . . 0.0 113.592 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.64 162.58 28.93 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 172.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -71.43 134.96 46.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.158 1.383 . . . . 0.0 113.326 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.0 tp -82.72 128.28 34.22 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.121 -0.987 . . . . 0.0 111.476 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -148.49 133.21 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.311 1.044 . . . . 0.0 111.525 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -76.4 117.75 18.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.366 1.066 . . . . 0.0 110.83 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -70.47 -24.83 62.94 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -104.0 -29.93 10.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.947 0.899 . . . . 0.0 113.323 -170.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -145.75 61.66 1.26 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.618 1.967 . . . . 0.0 109.58 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.09 35.81 0.19 Allowed Glycine 0 N--CA 1.47 0.945 0 C-N-CA 129.516 3.436 . . . . 0.0 119.348 -167.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m -67.29 134.63 51.95 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.946 0.873 . . . . 0.0 108.927 169.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -56.44 140.28 46.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.85 1.66 . . . . 0.0 114.623 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -88.76 67.09 8.25 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 0.0 111.939 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -71.92 151.25 43.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.481 1.113 . . . . 0.0 113.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -117.75 145.74 44.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.347 1.859 . . . . 0.0 110.215 168.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.52 -29.0 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -133.8 154.75 50.78 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.799 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.87 61.49 1.46 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.716 1.606 . . . . 0.0 110.827 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.54 9.23 0.02 OUTLIER Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.683 1.135 . . . . 0.0 115.567 -169.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -86.0 28.87 0.77 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.013 1.906 . . . . 0.0 113.209 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -53.26 -29.36 32.41 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.846 2.058 . . . . 0.0 116.322 -168.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.39 -48.83 55.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.584 1.538 . . . . 0.0 113.221 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.95 -40.91 91.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.707 -0.621 . . . . 0.0 112.088 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.4 m -62.58 -38.9 91.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.308 0.504 . . . . 0.0 112.176 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.04 -45.9 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.033 0.933 . . . . 0.0 110.663 174.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -64.2 -29.53 70.63 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.107 1.363 . . . . 0.0 113.856 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.44 -54.9 6.28 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.295 -0.878 . . . . 0.0 110.626 167.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.2 t -59.72 -42.02 92.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.499 1.12 . . . . 0.0 113.009 -170.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.89 -14.67 61.93 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.0 mt -107.97 -34.0 7.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.33 1.052 . . . . 0.0 112.62 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -65.19 -20.76 66.6 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 171.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 51' ' ' LEU . 59.5 m-85 -123.6 -89.07 0.6 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.858 1.663 . . . . 0.0 110.143 174.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -161.06 151.29 17.66 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 128.262 2.625 . . . . 0.0 109.119 -172.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -62.84 -21.12 65.71 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 m -73.93 -5.1 39.13 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.77 164.25 26.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.882 1.219 . . . . 0.0 113.719 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -147.68 -174.2 4.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.357 1.463 . . . . 0.0 110.699 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.28 176.3 40.96 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 120.756 1.616 . . . . 0.0 116.512 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -154.19 171.92 18.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.857 1.663 . . . . 0.0 113.241 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -87.12 69.33 10.13 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 113.463 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.5 111.55 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.877 -1.139 . . . . 0.0 111.459 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.89 57.72 4.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.393 1.477 . . . . 0.0 112.908 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 64.56 15.85 9.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.954 2.102 . . . . 0.0 116.39 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 145.64 51.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.619 1.099 . . . . 0.0 112.356 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.12 131.7 46.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.285 -0.884 . . . . 0.0 112.441 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -132.81 124.38 27.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.661 2.384 . . . . 0.0 109.15 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -85.46 149.74 25.19 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.577 1.151 . . . . 0.0 112.201 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.74 167.0 17.9 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.072 1.749 . . . . 0.0 109.866 169.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.1 m80 65.05 25.73 12.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.299 1.04 . . . . 0.0 113.713 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 33' ' ' TYR . 32.4 mt -78.9 158.92 27.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.758 1.223 . . . . 0.0 112.354 173.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.21 155.26 17.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.477 1.511 . . . . 0.0 113.04 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -33.59 74.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.732 -1.23 . . . . 0.0 113.179 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -82.39 11.86 5.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.912 1.685 . . . . 0.0 114.441 174.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 129.42 41.93 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.486 1.494 . . . . 0.0 113.661 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.92 113.57 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.225 1.41 . . . . 0.0 111.369 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.0 -16.3 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.696 1.199 . . . . 0.0 114.137 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -74.07 132.75 79.3 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.856 0.862 . . . . 0.0 111.873 -173.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.91 137.96 22.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.227 2.618 . . . . 0.0 115.359 -168.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.04 163.51 55.03 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 111.756 171.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.56 -25.4 34.85 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.424 2.083 . . . . 0.0 113.18 170.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.24 -26.81 64.02 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.297 0.0 OUTLIER -65.04 7.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.544 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -68.52 89.65 0.36 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.988 1.715 . . . . 0.0 109.944 169.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.0 t -75.41 156.47 35.33 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.122 0.969 . . . . 0.0 111.745 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -105.58 151.46 24.31 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.818 1.247 . . . . 0.0 111.573 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.676 0 O-C-N 121.091 -1.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.8 tttt . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -97.41 152.07 19.32 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.668 1.187 . . . . 0.0 110.411 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.65 24.26 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 117.491 1.756 . . . . 0.0 117.491 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.55 128.18 33.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.842 1.657 . . . . 0.0 110.268 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.5 tp -71.25 137.38 48.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -140.76 167.0 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.157 1.783 . . . . 0.0 111.941 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -97.98 137.75 36.33 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.334 1.454 . . . . 0.0 108.991 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -66.69 -22.24 66.08 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 120.971 -1.081 . . . . 0.0 112.425 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.23 -29.86 38.5 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.5 t -159.47 140.55 12.67 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.129 0.877 . . . . 0.0 112.913 -173.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.81 16.03 2.76 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 117.045 1.578 . . . . 0.0 117.045 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.03 132.99 45.01 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.515 1.658 . . . . 0.0 112.512 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 138.75 41.16 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -171.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -80.96 82.48 6.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.51 1.124 . . . . 0.0 111.13 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.3 p -70.1 153.23 43.42 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.891 0.876 . . . . 0.0 111.562 169.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -111.4 147.75 34.53 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.12 1.768 . . . . 0.0 109.861 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -43.19 70.18 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.436 -0.79 . . . . 0.0 112.962 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -141.65 151.75 43.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.895 1.678 . . . . 0.0 111.558 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.83 157.45 38.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.467 0.707 . . . . 0.0 111.131 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.64 -32.43 0.71 Allowed Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.328 1.442 . . . . 0.0 114.91 -176.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -76.16 66.34 2.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.421 1.888 . . . . 0.0 111.554 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -84.85 0.69 50.04 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.94 -47.12 87.09 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.444 1.475 . . . . 0.0 112.977 -171.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.89 -43.02 99.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.923 0.889 . . . . 0.0 112.379 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.77 -46.42 84.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.91 0.884 . . . . 0.0 112.336 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.79 -46.45 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.9 0.773 . . . . 0.0 111.219 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -61.71 -51.06 69.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.135 0.974 . . . . 0.0 112.143 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -26.75 67.66 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.782 -1.199 . . . . 0.0 113.594 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.47 -41.69 23.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -67.24 -31.75 72.31 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.391 -0.818 . . . . 0.0 112.169 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.66 -19.89 61.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -81.85 -66.85 0.84 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.269 1.028 . . . . 0.0 112.5 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -90.74 -67.16 0.87 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -157.88 148.71 20.98 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.54 1.536 . . . . 0.0 109.998 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.49 -25.16 66.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 m -74.66 -3.54 31.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 151.94 46.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.869 1.668 . . . . 0.0 113.378 -172.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -139.48 159.8 41.33 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.509 1.524 . . . . 0.0 111.033 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.03 174.46 43.55 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.842 1.211 . . . . 0.0 112.693 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -146.6 164.28 33.13 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 113.124 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.6 52.12 2.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.083 1.353 . . . . 0.0 113.257 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -53.08 120.63 6.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.658 1.183 . . . . 0.0 110.678 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.62 39.35 21.27 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.993 0.917 . . . . 0.0 113.429 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 65.62 22.52 11.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.427 1.891 . . . . 0.0 114.957 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.67 149.29 49.24 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.947 -1.095 . . . . 0.0 113.382 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -72.66 121.5 19.89 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -127.23 120.99 29.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.871 2.068 . . . . 0.0 108.983 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 55.9 m -109.97 156.28 20.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.464 1.106 . . . . 0.0 113.475 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -117.69 161.29 19.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.104 1.362 . . . . 0.0 113.78 -168.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 56.0 25.13 8.44 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.102 1.361 . . . . 0.0 114.558 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.22 151.46 44.29 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.07 1.748 . . . . 0.0 112.129 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -70.23 158.5 35.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.6 0.76 . . . . 0.0 112.146 169.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.08 -29.02 65.12 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.925 0.89 . . . . 0.0 112.785 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -80.41 11.76 3.44 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.83 143.39 55.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.715 -1.241 . . . . 0.0 112.918 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.4 132.68 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.838 0.855 . . . . 0.0 112.456 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -157.31 95.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.072 1.749 . . . . 0.0 108.857 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.392 25.5 m-90 51.12 -143.82 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.441 1.496 . . . . 0.0 113.697 -167.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER 34.21 45.61 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 124.335 3.356 . . . . 0.0 116.573 -165.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.25 142.64 84.87 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.351 1.06 . . . . 0.0 113.694 -169.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.71 -12.28 26.53 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.285 2.657 . . . . 0.0 111.781 167.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -104.36 -116.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.712 2.005 . . . . 0.0 112.611 -169.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -110.65 141.24 44.15 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 118.238 2.681 . . . . 0.0 118.238 -165.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -82.26 106.75 14.4 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.08 2.152 . . . . 0.0 107.591 166.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.16 148.32 52.01 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -54.37 154.42 4.62 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.792 1.637 . . . . 0.0 113.592 174.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.683 0 O-C-N 121.052 -1.03 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.7 tttt . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 119.895 -0.098 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -121.05 153.04 37.92 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.782 1.233 . . . . 0.0 113.013 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.79 163.88 27.31 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 121.459 -0.776 . . . . 0.0 113.616 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -70.91 148.71 47.47 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.097 -1.237 . . . . 0.0 113.568 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.9 tp -76.92 129.27 35.94 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.502 1.121 . . . . 0.0 111.73 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.42 137.63 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.986 0.898 . . . . 0.0 113.146 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -101.52 130.78 47.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.303 1.441 . . . . 0.0 108.494 168.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -69.8 -25.41 63.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -74.99 -28.84 60.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -89.78 151.38 21.84 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.082 -1.011 . . . . 0.0 111.493 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -21.74 64.99 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-O 117.633 -1.648 . . . . 0.0 116.389 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -141.79 159.29 42.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.97 1.885 . . . . 0.0 113.168 -170.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.36 166.9 5.84 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.268 2.227 . . . . 0.0 115.12 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -74.3 120.27 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.393 1.477 . . . . 0.0 113.178 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.7 p -75.55 161.65 28.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.298 1.039 . . . . 0.0 113.161 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -157.19 172.67 18.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.786 1.234 . . . . 0.0 111.878 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.68 -121.28 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.264 1.026 . . . . 0.0 113.341 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -75.44 144.03 42.35 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.652 -1.28 . . . . 0.0 112.828 -171.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.12 136.14 56.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.094 -1.004 . . . . 0.0 111.77 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.09 -15.16 58.77 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.43 1.491 . . . . 0.0 115.023 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -66.49 127.99 34.48 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.711 1.756 . . . . 0.0 109.311 169.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -135.97 -18.0 1.61 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 -168.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.24 -34.19 71.91 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 122.052 2.206 . . . . 0.0 114.374 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -71.31 -55.28 8.35 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.03 -1.043 . . . . 0.0 110.954 170.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.2 m -60.39 -39.78 88.53 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.69 -51.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.154 0.982 . . . . 0.0 110.556 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -66.65 -45.24 79.65 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.109 0.964 . . . . 0.0 111.611 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.34 -39.64 95.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.086 0.857 . . . . 0.0 112.892 173.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.21 -46.73 82.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.704 1.138 . . . . 0.0 111.758 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -77.17 -6.23 52.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -101.08 -23.82 14.41 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.42 1.088 . . . . 0.0 112.81 169.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -76.22 -47.08 25.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.523 1.129 . . . . 0.0 111.612 171.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.48 -168.8 1.5 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.142 1.777 . . . . 0.0 110.164 174.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.63 144.56 13.61 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.98 -14.91 61.52 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 m -69.83 -9.78 56.0 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 160.25 16.9 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -147.61 -174.41 4.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.558 1.943 . . . . 0.0 110.075 171.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.7 -168.05 39.95 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 120.199 -1.563 . . . . 0.0 116.673 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -159.42 169.5 23.8 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.222 1.809 . . . . 0.0 112.177 172.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.01 138.21 32.14 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.222 -0.924 . . . . 0.0 111.347 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -151.98 133.24 14.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.531 1.132 . . . . 0.0 110.09 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.77 45.51 11.4 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.495 1.118 . . . . 0.0 113.67 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.64 22.21 12.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.88 27.29 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.98 -1.075 . . . . 0.0 112.539 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.7 127.39 32.23 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.696 -0.628 . . . . 0.0 112.306 -172.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -110.35 107.71 17.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.101 1.76 . . . . 0.0 109.062 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.4 m -73.65 151.78 40.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.348 1.059 . . . . 0.0 111.097 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -134.24 163.53 29.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.162 1.385 . . . . 0.0 111.021 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.9 m80 61.97 20.54 11.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.952 1.301 . . . . 0.0 113.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.35 158.58 35.69 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.107 1.363 . . . . 0.0 112.409 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.15 160.76 4.68 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.557 1.543 . . . . 0.0 114.207 172.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -58.54 -21.3 52.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.241 1.416 . . . . 0.0 113.184 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -77.2 -5.47 49.33 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.51 143.99 55.88 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.053 0.842 . . . . 0.0 111.853 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.17 140.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 126.254 1.822 . . . . 0.0 110.534 -172.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -108.3 -1.2 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.727 1.211 . . . . 0.0 114.258 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -67.96 141.76 94.75 Favored Pre-proline 0 CA--C 1.554 1.111 0 O-C-N 120.774 -1.204 . . . . 0.0 110.381 167.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -60.65 150.71 80.7 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.564 2.842 . . . . 0.0 114.509 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 141.56 92.13 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.806 1.242 . . . . 0.0 112.686 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -72.46 -16.61 27.41 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.028 2.486 . . . . 0.0 113.175 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -69.17 -67.9 0.44 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.886 1.674 . . . . 0.0 113.269 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.42 149.95 49.85 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.668 1.187 . . . . 0.0 112.892 -174.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? -90.49 133.86 34.76 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.031 1.332 . . . . 0.0 111.687 173.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.21 141.11 40.22 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 173.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -152.39 174.7 13.52 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.218 1.407 . . . . 0.0 111.779 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.551 0 O-C-N 121.227 -0.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -120.76 141.33 50.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.324 1.05 . . . . 0.0 111.81 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.91 171.93 44.9 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 116.301 1.28 . . . . 0.0 116.301 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.72 131.16 45.37 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.235 2.214 . . . . 0.0 112.855 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tp -78.86 120.02 22.89 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.266 -0.896 . . . . 0.0 111.417 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 p -134.74 147.73 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.331 1.053 . . . . 0.0 111.596 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.18 117.47 7.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.41 1.084 . . . . 0.0 112.214 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -57.95 -25.62 61.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 114.038 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -88.36 -41.76 12.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.416 1.086 . . . . 0.0 113.217 -171.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.7 p -140.73 -1.95 1.4 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.93 10.16 79.31 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.137 1.615 . . . . 0.0 117.137 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -58.25 141.21 51.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.502 1.651 . . . . 0.0 113.069 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -81.89 156.68 24.68 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -108.19 99.75 9.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.24 1.016 . . . . 0.0 111.768 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -74.3 162.79 28.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.074 0.95 . . . . 0.0 113.063 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.2 t -156.56 163.59 39.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.396 1.878 . . . . 0.0 111.512 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 179.38 0.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.406 1.882 . . . . 0.0 114.642 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.1 157.03 2.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.697 1.599 . . . . 0.0 111.822 169.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.1 mt -50.28 160.52 0.37 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.959 2.104 . . . . 0.0 114.93 -171.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.24 -38.04 2.01 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 126.236 1.874 . . . . 0.0 115.912 174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -72.83 72.27 1.07 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.479 1.912 . . . . 0.0 111.72 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -90.06 -15.31 32.02 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -168.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -25.05 67.48 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -166.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -69.39 -45.33 69.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.842 0.746 . . . . 0.0 111.005 170.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.0 t -68.42 -33.29 73.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.001 0.92 . . . . 0.0 112.951 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.94 -46.98 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.176 1.353 . . . . 0.0 110.682 170.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -64.07 -45.87 86.82 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.863 0.865 . . . . 0.0 112.158 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.07 -41.81 98.55 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.566 1.076 . . . . 0.0 112.969 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.39 -48.16 80.95 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 111.312 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -80.09 -3.03 47.02 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -103.51 -30.83 10.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.873 1.269 . . . . 0.0 112.587 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -71.33 -51.11 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.272 1.829 . . . . 0.0 110.061 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -103.7 -172.27 2.08 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.814 1.246 . . . . 0.0 109.246 167.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.67 156.24 27.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.696 1.199 . . . . 0.0 114.145 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -54.27 -28.9 44.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -83.11 0.3 45.72 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.21 160.57 31.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.892 0.877 . . . . 0.0 111.946 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -149.46 157.2 43.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.395 1.078 . . . . 0.0 111.902 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.95 -178.37 35.79 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 -171.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -159.17 171.38 20.02 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.382 2.273 . . . . 0.0 111.089 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.75 147.26 27.89 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.131 -0.981 . . . . 0.0 113.269 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -148.31 134.19 19.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.051 1.341 . . . . 0.0 108.852 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.31 39.21 11.82 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.828 1.251 . . . . 0.0 114.018 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.252 77.5 m-85 64.58 24.79 13.09 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.406 1.882 . . . . 0.0 115.513 -177.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.72 151.86 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.431 1.092 . . . . 0.0 113.184 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.37 136.89 38.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.608 1.163 . . . . 0.0 113.291 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -121.8 136.32 54.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.934 2.494 . . . . 0.0 108.957 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -132.05 147.36 52.44 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.509 1.124 . . . . 0.0 111.434 -168.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 p -133.46 163.8 28.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.876 1.67 . . . . 0.0 112.791 -167.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 63.63 25.71 14.38 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.037 1.735 . . . . 0.0 112.629 -168.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.37 138.86 49.52 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.367 1.467 . . . . 0.0 111.304 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.11 25.06 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.56 1.171 . . . . 0.0 113.23 169.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 pm0 -61.51 -18.87 61.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.402 1.081 . . . . 0.0 113.655 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -81.6 5.64 17.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.061 1.345 . . . . 0.0 113.98 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.66 172.43 8.67 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.839 -1.163 . . . . 0.0 113.323 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -140.74 148.97 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.943 1.697 . . . . 0.0 110.619 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.42 156.01 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.022 1.729 . . . . 0.0 110.844 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.0 m95 58.43 177.36 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.343 0 C-N-CA 125.622 1.569 . . . . 0.0 113.146 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -57.66 143.76 94.33 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.71 2.273 . . . . 0.0 113.988 -173.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.7 122.71 69.04 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.265 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.73 -20.28 30.45 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.806 2.338 . . . . 0.0 113.199 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -52.19 -46.82 65.72 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 113.61 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -137.72 172.06 13.52 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.294 2.238 . . . . 0.0 110.708 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -100.31 143.93 29.92 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.626 1.17 . . . . 0.0 112.099 173.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 38.6 t -74.65 128.66 36.11 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.944 0.498 . . . . 0.0 109.807 169.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.15 136.16 55.55 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 118.775 0.716 . . . . 0.0 112.342 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.734 0 O-C-N 120.938 -1.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.7 tttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.084 0.469 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.98 164.85 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.124 2.17 . . . . 0.0 111.464 -173.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.63 155.16 26.25 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.552 0.596 . . . . 0.0 113.333 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -79.46 158.31 27.32 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.037 -1.272 . . . . 0.0 111.2 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -71.89 47.96 0.15 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.101 0.96 . . . . 0.0 112.172 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -75.24 102.22 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.204 -1.56 . . . . 0.0 113.83 -169.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.82 100.72 11.73 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.921 1.289 . . . . 0.0 107.874 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -70.4 -1.07 9.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.395 1.478 . . . . 0.0 114.558 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -65.72 -21.63 66.54 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.806 1.242 . . . . 0.0 112.73 172.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -154.51 156.62 37.0 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.81 3.19 57.16 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.85 151.28 39.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.359 1.579 . . . . 0.0 113.193 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.26 152.04 24.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 110.843 168.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -117.1 75.48 0.98 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 123.27 1.509 . . . . 0.0 111.93 -169.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.2 p -68.27 157.14 36.21 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.946 2.098 . . . . 0.0 113.466 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 p -161.64 -174.01 4.02 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.467 1.507 . . . . 0.0 112.602 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.92 -176.16 1.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.628 1.971 . . . . 0.0 116.301 -169.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.07 157.6 9.96 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.891 1.276 . . . . 0.0 113.023 169.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.79 140.37 42.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.173 0.989 . . . . 0.0 112.254 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.98 -32.14 1.75 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.29 1.424 . . . . 0.0 114.853 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.73 33.43 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.936 -1.332 . . . . 0.0 112.286 171.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.34 30.63 7.06 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -166.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -55.67 -29.43 59.31 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -55.94 -43.69 77.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.759 0.823 . . . . 0.0 112.134 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.23 -35.91 80.55 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.142 -0.974 . . . . 0.0 111.63 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -66.2 -38.68 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.571 1.078 . . . . 0.0 111.326 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -69.84 -39.4 76.46 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.358 1.063 . . . . 0.0 113.809 173.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.68 -34.01 30.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 117.765 -1.112 . . . . 0.0 113.496 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.2 m -64.13 -38.29 90.53 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 121.092 1.769 . . . . 0.0 111.236 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -71.72 -4.81 29.61 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.19 -34.93 6.7 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.266 1.426 . . . . 0.0 112.548 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -68.94 -30.07 68.44 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.981 2.512 . . . . 0.0 112.786 175.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -122.82 -173.09 2.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.0 2.92 . . . . 0.0 108.151 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.47 155.16 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 169.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -56.3 -15.74 4.42 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.333 1.453 . . . . 0.0 114.774 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -75.71 -16.6 60.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.556 1.542 . . . . 0.0 114.69 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 164.47 16.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -169.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -125.17 169.36 12.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.593 2.757 . . . . 0.0 110.021 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.93 167.77 38.24 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 169.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -157.32 171.22 20.79 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.199 0.999 . . . . 0.0 113.448 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.3 m -84.43 59.4 5.4 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.192 0.997 . . . . 0.0 113.427 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -63.04 115.68 4.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.909 0.883 . . . . 0.0 109.999 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.9 49.24 17.14 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 63.47 27.37 15.12 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.9 149.45 32.26 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.823 -1.173 . . . . 0.0 113.134 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.48 111.48 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.926 0.869 . . . . 0.0 113.112 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -110.41 114.63 28.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.281 2.232 . . . . 0.0 108.898 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 m -87.47 141.94 28.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.51 1.124 . . . . 0.0 111.032 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -131.39 164.99 24.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.885 1.274 . . . . 0.0 112.26 -169.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m80 59.86 48.96 8.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.614 1.565 . . . . 0.0 112.457 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.7 mt -105.68 163.04 13.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.978 1.311 . . . . 0.0 113.69 -170.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.64 158.74 11.94 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 169.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.26 -23.75 38.35 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.199 0.999 . . . . 0.0 113.507 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -73.34 -3.12 25.17 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.74 159.48 16.26 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.01 152.47 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.761 1.624 . . . . 0.0 112.165 -175.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.96 160.21 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.592 1.557 . . . . 0.0 114.017 -170.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.257 4.7 m0 57.99 163.53 0.08 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 130.232 3.413 . . . . 0.0 118.175 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -57.74 144.35 93.43 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.925 3.083 . . . . 0.0 113.023 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.28 122.19 41.78 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 123.224 0.609 . . . . 0.0 112.305 -168.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.56 -20.33 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.24 1.96 . . . . 0.0 113.464 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -81.75 -26.8 34.2 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -170.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -115.7 155.04 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.285 1.834 . . . . 0.0 112.07 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 164.17 16.86 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.501 1.521 . . . . 0.0 110.687 169.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.5 t -83.91 136.89 33.92 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.477 1.111 . . . . 0.0 113.572 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -71.05 175.21 5.37 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.559 1.944 . . . . 0.0 113.7 173.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 120.924 -1.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' HE2' HG11 ' A' ' 57' ' ' VAL . 70.5 tttt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.98 154.28 21.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.176 0.898 . . . . 0.0 109.466 168.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.13 165.17 30.7 Favored Glycine 0 N--CA 1.469 0.881 0 N-CA-C 117.367 1.707 . . . . 0.0 117.367 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -82.64 172.98 12.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.452 1.501 . . . . 0.0 112.515 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -139.17 107.63 5.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.523 1.129 . . . . 0.0 110.227 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.53 147.57 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.696 1.198 . . . . 0.0 112.118 -172.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -65.0 144.78 57.07 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.072 1.349 . . . . 0.0 111.916 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -81.39 -26.45 35.44 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.388 -1.445 . . . . 0.0 113.14 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.34 -21.88 26.99 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -156.06 165.25 36.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.171 1.788 . . . . 0.0 109.909 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.11 12.05 3.39 Favored Glycine 0 CA--C 1.542 1.754 0 O-C-N 120.638 -1.288 . . . . 0.0 116.162 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.66 129.17 37.24 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.134 1.467 . . . . 0.0 114.742 -170.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 144.59 30.28 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.652 1.581 . . . . 0.0 111.118 169.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.92 116.71 16.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.805 -0.56 . . . . 0.0 111.742 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -76.23 167.92 20.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.483 0.713 . . . . 0.0 112.611 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 t -144.96 138.15 26.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.952 2.101 . . . . 0.0 110.903 177.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.58 -27.08 20.47 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -143.14 132.67 23.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.539 1.536 . . . . 0.0 112.504 176.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.5 mt -75.02 165.63 24.95 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.094 0.958 . . . . 0.0 111.498 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.54 -42.61 2.64 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.662 1.125 . . . . 0.0 114.148 175.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 84.77 1.27 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.037 1.335 . . . . 0.0 110.029 169.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -70.2 -18.53 63.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.375 -1.453 . . . . 0.0 114.386 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -55.11 -39.08 68.96 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -56.67 -51.12 69.97 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.695 0.68 . . . . 0.0 111.677 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.45 -24.79 50.25 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.258 -0.877 . . . . 0.0 113.366 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.7 t -60.8 -47.74 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.06 1.3 . . . . 0.0 110.381 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -58.01 -49.87 75.37 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.925 0.89 . . . . 0.0 112.454 175.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -67.86 -32.2 72.55 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.259 -0.901 . . . . 0.0 112.703 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 t -73.49 -44.74 57.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 120.336 1.426 . . . . 0.0 112.414 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -63.95 -21.66 66.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.64 -36.97 17.16 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.515 0.726 . . . . 0.0 112.299 169.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -59.82 -51.0 71.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.907 1.283 . . . . 0.0 112.422 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.44 -90.75 0.37 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.574 1.55 . . . . 0.0 110.423 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -145.99 153.34 40.66 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.176 1.39 . . . . 0.0 111.343 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -30.11 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -85.27 6.35 26.53 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.362 1.465 . . . . 0.0 114.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.99 165.8 22.68 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -132.41 165.84 23.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.979 1.711 . . . . 0.0 111.885 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.81 -176.91 47.04 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 121.493 -0.755 . . . . 0.0 114.425 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -159.96 178.85 9.31 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.068 1.747 . . . . 0.0 112.139 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.4 m -93.32 140.1 29.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.436 0.694 . . . . 0.0 110.907 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -148.51 136.96 21.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.423 1.889 . . . . 0.0 109.038 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.75 44.27 27.85 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.327 1.051 . . . . 0.0 112.772 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 55.18 29.23 12.3 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.295 1.438 . . . . 0.0 114.494 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.46 163.57 33.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.113 1.365 . . . . 0.0 110.796 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m -71.65 161.33 31.16 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 122.209 1.004 . . . . 0.0 113.216 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -151.83 133.0 14.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.319 2.248 . . . . 0.0 108.198 171.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.6 m -101.73 147.96 25.84 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.45 1.1 . . . . 0.0 110.978 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.9 p -133.3 157.63 44.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.846 0.832 . . . . 0.0 112.682 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.81 26.49 13.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.965 1.306 . . . . 0.0 113.46 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.8 165.19 25.65 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.46 -1.4 . . . . 0.0 112.162 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.42 169.83 5.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.826 1.651 . . . . 0.0 114.617 169.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.99 -20.31 65.17 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.226 -0.921 . . . . 0.0 113.381 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -77.88 5.87 8.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.72 150.09 49.59 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -175.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.67 133.44 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG11 ' HE2' ' A' ' 1' ' ' LYS . 28.8 m -134.12 139.34 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.023 0.929 . . . . 0.0 110.927 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 60.28 159.88 0.11 Allowed Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 126.606 1.962 . . . . 0.0 116.177 -175.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.71 164.39 21.48 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.142 3.228 . . . . 0.0 114.877 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.52 124.17 68.27 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 123.931 0.893 . . . . 0.0 111.807 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -85.32 -20.76 3.2 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.564 2.843 . . . . 0.0 114.527 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -96.45 -67.48 0.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -67.46 139.68 57.06 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.128 -0.983 . . . . 0.0 111.111 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -106.87 158.06 17.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.174 1.389 . . . . 0.0 112.319 175.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.4 t -81.44 140.65 34.52 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.59 1.156 . . . . 0.0 113.542 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -124.89 150.21 46.75 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.963 1.705 . . . . 0.0 111.603 173.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 O-C-N 120.928 -1.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.3 tttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -99.97 146.89 26.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 172.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.25 158.34 30.69 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -71.51 158.93 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.827 1.651 . . . . 0.0 112.531 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 tp -67.71 78.22 0.2 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.773 1.229 . . . . 0.0 111.506 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -53.12 151.82 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.787 2.035 . . . . 0.0 113.557 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -152.21 150.66 30.07 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.324 1.05 . . . . 0.0 110.985 171.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -88.2 -25.93 22.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.893 1.277 . . . . 0.0 112.271 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -72.08 -35.66 69.31 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -153.6 152.7 31.17 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.249 1.02 . . . . 0.0 113.124 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.35 -4.21 89.6 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-O 118.45 -1.195 . . . . 0.0 115.128 170.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -77.33 145.88 37.09 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.07 1.935 . . . . 0.0 113.28 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -69.43 124.91 25.12 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.424 1.889 . . . . 0.0 114.892 -174.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -80.18 98.8 7.49 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.851 1.26 . . . . 0.0 111.561 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 p -78.39 157.86 28.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.743 2.017 . . . . 0.0 112.974 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.1 p -154.77 -141.31 0.1 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.195 0.998 . . . . 0.0 113.202 177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 179.24 1.63 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.357 2.663 . . . . 0.0 114.28 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.88 164.67 23.24 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.3 1.048 . . . . 0.0 112.22 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.3 129.99 44.77 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.851 0.834 . . . . 0.0 112.185 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 -18.11 35.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.952 1.263 . . . . 0.0 115.126 -175.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -70.54 139.53 51.56 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.613 1.707 . . . . 0.0 111.651 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -133.1 -21.65 2.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.234 1.813 . . . . 0.0 115.248 -166.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -56.07 -39.73 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -170.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -76.14 -48.96 18.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.858 1.263 . . . . 0.0 112.905 171.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -63.35 -34.5 77.84 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.599 -0.688 . . . . 0.0 112.807 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.25 -43.48 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.316 -0.865 . . . . 0.0 112.003 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -63.48 -36.2 82.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.869 0.868 . . . . 0.0 112.884 -177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.25 -44.83 58.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.842 0.457 . . . . 0.0 112.006 170.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.19 -44.02 97.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.95 1.3 . . . . 0.0 112.003 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.33 -13.71 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.359 1.464 . . . . 0.0 114.897 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -97.69 -33.28 11.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.447 1.099 . . . . 0.0 112.287 171.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -77.32 -45.05 27.43 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -93.02 -88.52 0.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.997 0.919 . . . . 0.0 110.277 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -157.63 164.41 37.26 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.416 1.086 . . . . 0.0 112.097 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.49 -30.9 68.88 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -168.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.1 p -82.43 2.81 30.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 173.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.85 154.09 42.14 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.595 1.089 . . . . 0.0 113.48 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -141.78 152.03 43.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.62 1.968 . . . . 0.0 111.079 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.11 172.79 42.88 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 121.188 -0.945 . . . . 0.0 114.8 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -149.03 168.74 22.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.957 1.303 . . . . 0.0 113.228 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.05 64.35 6.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.499 1.12 . . . . 0.0 112.764 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -67.39 126.95 30.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.946 1.298 . . . . 0.0 110.274 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.39 36.9 14.16 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.879 0.872 . . . . 0.0 113.289 -169.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 64.96 10.78 6.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 116.133 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.77 143.67 50.96 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.374 1.069 . . . . 0.0 112.081 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -66.88 126.96 30.73 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.734 0.778 . . . . 0.0 112.502 -169.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -138.9 116.11 11.07 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.159 1.783 . . . . 0.0 110.307 -168.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.0 m -89.02 154.26 20.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.849 2.06 . . . . 0.0 112.665 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -124.21 161.26 26.1 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.708 2.003 . . . . 0.0 112.349 -168.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 55.76 21.05 4.41 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.532 1.933 . . . . 0.0 115.697 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.53 164.07 26.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.468 1.507 . . . . 0.0 114.952 -170.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.03 168.03 7.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.757 1.623 . . . . 0.0 114.321 168.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -54.69 -24.48 22.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.633 1.973 . . . . 0.0 114.352 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -76.43 2.74 12.8 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.088 1.355 . . . . 0.0 114.564 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.13 157.45 33.63 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.06 150.15 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 126.515 1.926 . . . . 0.0 110.27 -172.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 m -115.0 177.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.747 1.219 . . . . 0.0 112.961 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -50.89 161.22 0.7 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.898 2.079 . . . . 0.0 113.6 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.315 0.1 OUTLIER 41.6 73.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.834 2.356 . . . . 0.0 114.592 -162.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 145.22 99.09 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 126.805 2.042 . . . . 0.0 111.902 -169.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -64.85 -21.65 64.12 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.264 1.976 . . . . 0.0 112.606 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -66.0 -49.68 66.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.374 1.07 . . . . 0.0 113.509 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.32 153.38 25.37 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.593 1.157 . . . . 0.0 112.949 -172.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -107.02 162.18 14.07 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 127.334 2.254 . . . . 0.0 112.365 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.6 t -154.36 153.04 30.95 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.458 1.503 . . . . 0.0 112.018 -177.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -67.74 161.77 25.3 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.888 0.875 . . . . 0.0 113.089 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.543 0 O-C-N 120.465 -1.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.6 tttt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -90.32 173.19 8.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.851 1.261 . . . . 0.0 111.125 169.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.82 160.89 34.63 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 120.855 -1.153 . . . . 0.0 115.523 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -79.48 160.8 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.551 1.141 . . . . 0.0 111.674 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 tp -98.61 113.89 26.12 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.395 0.678 . . . . 0.0 111.079 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -153.22 147.23 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 110.509 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -87.99 132.33 34.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.063 1.345 . . . . 0.0 110.761 170.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -56.16 -21.73 24.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.22 -34.01 75.45 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -161.18 138.02 8.68 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.8 1.182 . . . . 0.0 113.891 -169.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.46 13.16 12.0 Favored Glycine 0 CA--C 1.534 1.271 0 N-CA-C 115.853 1.101 . . . . 0.0 115.853 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 129.93 43.09 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.248 1.524 . . . . 0.0 110.096 169.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -71.82 130.0 40.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.787 1.235 . . . . 0.0 112.033 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -72.54 105.39 4.18 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 p -73.31 160.21 32.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 112.475 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.3 p -141.2 134.0 28.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.225 1.01 . . . . 0.0 110.373 172.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.73 71.68 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -168.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -150.42 139.47 21.06 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.414 1.006 . . . . 0.0 113.082 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 mt -66.68 142.63 57.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.871 1.268 . . . . 0.0 109.432 170.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.57 4.95 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.466 1.031 . . . . 0.0 115.333 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.71 51.14 1.44 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.524 1.662 . . . . 0.0 109.601 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -71.83 -17.01 62.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.405 -1.434 . . . . 0.0 114.64 -169.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.83 -26.79 48.29 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.36 1.064 . . . . 0.0 112.822 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.9 -55.11 16.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.051 0.94 . . . . 0.0 111.815 169.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.8 m -66.14 -29.65 69.98 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.187 -0.946 . . . . 0.0 113.409 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.91 -48.83 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.837 1.199 . . . . 0.0 110.747 172.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -60.98 -52.02 66.77 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -69.68 -28.33 65.77 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.158 -0.964 . . . . 0.0 112.885 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.2 t -70.12 -47.68 60.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.187 0.995 . . . . 0.0 112.002 172.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -67.15 -24.96 65.95 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.64 -19.95 47.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -84.32 -62.02 1.66 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.645 1.178 . . . . 0.0 112.333 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.44 -83.77 0.1 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.408 0.683 . . . . 0.0 111.364 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -155.94 156.22 34.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.563 1.145 . . . . 0.0 111.282 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -54.61 -31.0 56.34 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 m -75.46 -3.42 33.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.52 19.16 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -141.35 167.95 20.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.656 2.382 . . . . 0.0 112.238 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 177.83 46.46 Favored Glycine 0 CA--C 1.536 1.38 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -146.46 167.11 24.46 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.313 1.445 . . . . 0.0 112.84 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.7 t -88.38 130.02 35.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.281 1.032 . . . . 0.0 110.218 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -151.22 128.65 11.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.651 1.18 . . . . 0.0 110.783 -172.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.04 29.69 4.8 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -170.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.256 67.5 m-85 61.68 28.87 17.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.908 1.683 . . . . 0.0 114.913 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.02 149.34 45.97 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.231 1.812 . . . . 0.0 110.287 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.64 141.73 42.75 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.249 -1.532 . . . . 0.0 113.309 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -130.69 121.19 25.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.36 1.864 . . . . 0.0 109.763 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.5 m -86.88 147.06 25.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.507 1.523 . . . . 0.0 112.297 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 p -127.1 158.09 37.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.788 1.235 . . . . 0.0 112.819 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.7 m80 58.14 32.83 22.51 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.276 1.43 . . . . 0.0 113.544 175.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.48 170.54 15.13 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.015 -1.053 . . . . 0.0 111.671 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.5 167.92 1.78 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.371 1.468 . . . . 0.0 113.484 167.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.17 -24.44 59.0 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.542 -1.349 . . . . 0.0 113.18 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -77.41 13.27 1.25 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.131 1.372 . . . . 0.0 114.289 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.52 161.98 16.28 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.714 1.206 . . . . 0.0 113.431 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.5 t -127.93 137.09 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.995 1.718 . . . . 0.0 110.37 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.2 m -94.76 -157.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.489 1.116 . . . . 0.0 112.271 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -53.63 154.46 6.67 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 125.837 1.655 . . . . 0.0 113.972 -175.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.25 154.06 15.28 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.533 2.822 . . . . 0.0 115.289 -172.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.82 137.31 54.26 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.674 171.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -60.78 -22.01 72.07 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.245 2.63 . . . . 0.0 113.535 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.4 -37.79 84.73 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.488 1.515 . . . . 0.0 113.68 171.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -79.83 57.93 2.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.262 1.825 . . . . 0.0 112.511 -174.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -67.41 103.37 1.28 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.802 1.641 . . . . 0.0 112.426 -175.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.23 130.05 41.53 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.51 0.724 . . . . 0.0 112.211 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 56.59 33.69 23.14 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.44 1.896 . . . . 0.0 113.906 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 120.591 -1.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.491 0.186 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -137.0 151.62 49.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.817 1.647 . . . . 0.0 112.327 -168.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.67 168.74 41.52 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 117.57 1.788 . . . . 0.0 117.57 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.11 131.15 43.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.6 1.96 . . . . 0.0 113.12 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.2 tp -83.16 128.11 34.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.81 150.15 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.383 1.873 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -72.47 151.94 42.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.852 0.861 . . . . 0.0 112.368 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.01 -8.55 58.32 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -171.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -129.8 -1.96 4.75 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t -158.8 142.44 15.11 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.752 1.221 . . . . 0.0 109.338 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 12.59 1.25 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 116.417 1.327 . . . . 0.0 116.417 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.5 m -70.4 118.66 13.49 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.092 1.446 . . . . 0.0 113.031 -176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -57.63 149.06 22.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.997 2.519 . . . . 0.0 114.432 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -87.54 105.42 17.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.479 -0.763 . . . . 0.0 110.126 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.7 p -73.16 148.42 43.86 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.006 1.722 . . . . 0.0 114.389 -172.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -125.54 153.17 44.03 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.797 1.639 . . . . 0.0 110.467 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.37 -26.82 13.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.003 1.321 . . . . 0.0 113.708 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -143.26 142.5 31.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.161 2.585 . . . . 0.0 110.037 -174.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -91.06 148.46 22.37 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 0.0 112.632 -169.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 -2.21 48.82 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 115.155 0.822 . . . . 0.0 115.155 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -72.01 158.23 36.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.849 1.66 . . . . 0.0 112.159 169.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -143.69 -28.52 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.31 -39.55 67.1 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.979 1.718 . . . . 0.0 113.086 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -68.88 -54.93 12.83 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.775 1.23 . . . . 0.0 112.779 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.83 -33.86 66.44 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -169.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.58 -46.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.391 0.996 . . . . 0.0 111.044 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -59.5 -54.59 44.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.163 0.985 . . . . 0.0 112.26 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -67.36 -28.67 68.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 112.953 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.05 -46.82 55.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.252 0.621 . . . . 0.0 112.371 172.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -68.27 -23.36 64.76 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.108 -0.995 . . . . 0.0 113.193 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.35 -25.35 46.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.912 0.885 . . . . 0.0 113.133 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -75.46 -49.33 19.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.103 0.865 . . . . 0.0 112.591 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.39 -69.72 0.83 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -170.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -169.69 158.58 7.66 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.793 1.237 . . . . 0.0 111.401 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -30.6 14.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.682 1.993 . . . . 0.0 115.581 -177.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -89.74 4.47 49.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 114.406 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.52 150.55 25.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.668 0.787 . . . . 0.0 110.883 170.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -135.59 175.51 9.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.811 1.244 . . . . 0.0 110.398 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.66 172.2 45.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.202 -0.936 . . . . 0.0 114.477 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -148.0 166.97 26.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.917 1.287 . . . . 0.0 112.475 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.1 m -85.07 126.98 34.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.64 0.776 . . . . 0.0 112.875 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -148.97 136.96 20.72 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.588 2.355 . . . . 0.0 109.744 -174.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.83 33.99 9.52 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.261 98.3 m-85 55.48 33.43 20.98 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.55 1.94 . . . . 0.0 114.654 -173.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.68 166.83 23.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.53 1.932 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 t -84.99 132.54 34.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.501 1.12 . . . . 0.0 111.846 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -123.52 114.06 19.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.48 1.912 . . . . 0.0 109.651 -175.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.0 m -80.79 153.28 27.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.192 1.397 . . . . 0.0 112.977 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.1 p -134.48 168.96 17.99 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.887 2.075 . . . . 0.0 110.98 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m80 64.38 24.21 13.17 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.02 1.328 . . . . 0.0 114.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.73 136.05 40.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.374 1.47 . . . . 0.0 114.1 -173.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 162.58 26.98 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.939 0.896 . . . . 0.0 111.261 166.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -58.45 -25.69 62.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.145 -0.972 . . . . 0.0 112.382 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -76.05 -0.19 20.9 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.955 1.302 . . . . 0.0 114.315 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.72 173.15 6.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.706 1.202 . . . . 0.0 113.642 176.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -114.27 116.85 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.898 1.279 . . . . 0.0 108.871 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.32 -28.05 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -170.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -75.21 164.67 59.66 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.215 0.606 . . . . 0.0 111.108 168.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.86 151.11 79.71 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.763 2.309 . . . . 0.0 111.995 172.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 tp -72.48 117.69 61.14 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.168 0.895 . . . . 0.0 111.268 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -77.94 -16.79 14.14 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.613 2.209 . . . . 0.0 112.56 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.94 -57.07 8.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.306 1.043 . . . . 0.0 112.3 -171.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -148.82 144.01 26.69 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.99 1.316 . . . . 0.0 112.847 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 154.59 40.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.807 1.243 . . . . 0.0 111.128 172.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.91 152.43 45.69 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -79.99 70.45 6.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.947 2.099 . . . . 0.0 112.051 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.611 0 O-C-N 120.921 -1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.1 tttt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.83 148.7 39.63 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.649 1.58 . . . . 0.0 111.253 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.17 169.94 41.74 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.16 135.57 33.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.444 1.098 . . . . 0.0 111.169 -175.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -83.31 110.55 18.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.978 0.894 . . . . 0.0 111.483 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.94 156.46 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 126.192 1.797 . . . . 0.0 109.928 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.47 151.14 45.45 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -176.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -69.49 -26.76 64.71 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.12 -0.988 . . . . 0.0 113.177 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -97.58 -19.81 18.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -158.31 160.45 37.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.628 1.171 . . . . 0.0 112.108 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.23 11.42 8.57 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.331 -1.481 . . . . 0.0 116.088 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.47 116.83 7.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.682 1.193 . . . . 0.0 112.681 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -63.83 150.61 44.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.976 1.71 . . . . 0.0 112.395 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -104.58 106.2 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.999 0.92 . . . . 0.0 110.732 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.5 p -78.69 158.39 28.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.581 1.152 . . . . 0.0 113.872 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -112.65 139.38 48.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.874 1.67 . . . . 0.0 111.082 173.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.04 63.69 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.249 1.019 . . . . 0.0 112.475 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -148.55 148.12 29.82 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.88 1.272 . . . . 0.0 112.555 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.73 158.26 36.44 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.748 0.785 . . . . 0.0 110.65 168.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -15.91 9.41 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.42 127.36 31.6 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.804 1.802 . . . . 0.0 111.02 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -93.33 -68.46 0.8 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.018 0.927 . . . . 0.0 110.735 171.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -65.31 -20.96 66.64 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -58.36 -45.59 87.92 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.637 1.175 . . . . 0.0 111.273 169.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.2 t -81.58 -38.54 25.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.275 1.03 . . . . 0.0 111.457 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.94 -39.91 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.416 1.007 . . . . 0.0 110.93 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -56.22 -43.2 78.33 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.307 1.043 . . . . 0.0 112.382 173.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.85 -47.38 62.9 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.235 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.0 -47.13 87.1 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.708 0.803 . . . . 0.0 111.226 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -2.04 18.11 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.309 1.444 . . . . 0.0 114.457 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.98 -33.49 5.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.685 1.594 . . . . 0.0 113.299 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -75.2 -35.65 61.5 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.551 1.54 . . . . 0.0 112.245 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.05 -173.81 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.488 2.315 . . . . 0.0 109.595 174.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.78 148.64 2.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 170.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.87 -19.76 65.32 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.783 -1.198 . . . . 0.0 113.531 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -71.65 -3.99 24.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.841 1.256 . . . . 0.0 114.266 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.26 152.93 44.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.693 1.133 . . . . 0.0 113.628 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -131.03 -178.07 4.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.729 1.612 . . . . 0.0 110.819 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.46 -176.27 42.29 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-N 119.998 1.272 . . . . 0.0 116.162 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -163.08 171.45 16.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.826 2.05 . . . . 0.0 112.372 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.23 124.34 33.21 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.946 -1.096 . . . . 0.0 113.205 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.84 143.47 29.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.852 2.461 . . . . 0.0 108.941 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.84 34.21 21.5 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 120.021 1.282 . . . . 0.0 113.3 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 49.79 33.61 6.56 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.513 1.925 . . . . 0.0 114.177 -170.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.23 160.71 41.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.16 1.384 . . . . 0.0 112.082 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.35 115.2 14.75 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.432 -0.792 . . . . 0.0 112.216 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -99.92 106.14 17.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.878 2.071 . . . . 0.0 109.382 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.76 147.06 27.82 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.732 0.777 . . . . 0.0 111.683 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -135.69 169.73 17.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.914 1.685 . . . . 0.0 111.233 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 m80 64.08 22.77 13.02 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.325 1.45 . . . . 0.0 113.949 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 mt -83.13 166.02 19.02 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.914 1.685 . . . . 0.0 113.635 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -60.54 163.17 5.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.036 1.734 . . . . 0.0 113.533 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -61.82 -14.37 32.64 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -91.76 5.76 48.57 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 157.91 33.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 t -126.66 146.14 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.22 1.408 . . . . 0.0 112.782 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -80.47 -154.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.339 1.456 . . . . 0.0 113.177 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -62.04 140.81 95.87 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.79 1.636 . . . . 0.0 115.284 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -67.0 161.49 42.38 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.468 2.779 . . . . 0.0 111.422 168.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.86 152.06 96.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.207 -0.933 . . . . 0.0 112.311 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -60.69 -17.79 51.58 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.288 2.658 . . . . 0.0 113.069 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -54.4 -33.25 58.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.378 1.871 . . . . 0.0 113.058 168.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -80.86 71.66 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.902 1.281 . . . . 0.0 111.87 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -63.38 -8.59 9.28 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 127.057 2.143 . . . . 0.0 115.556 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.2 t -62.08 132.13 51.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.684 1.194 . . . . 0.0 112.851 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.54 1.2 50.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -174.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 O-C-N 120.844 -1.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.9 tttt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -130.0 163.8 25.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.788 1.235 . . . . 0.0 112.012 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.05 140.11 5.78 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -58.54 138.0 57.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.396 1.479 . . . . 0.0 112.555 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.5 tp -79.38 120.82 24.35 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.093 -1.004 . . . . 0.0 111.194 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.95 147.94 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.63 1.572 . . . . 0.0 110.563 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -80.87 142.26 33.79 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -70.89 -10.35 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -176.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.74 -35.24 0.8 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.281 1.032 . . . . 0.0 111.294 -174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -81.67 -24.37 36.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.204 1.001 . . . . 0.0 113.027 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.34 11.51 56.25 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.33 154.36 20.38 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.052 1.426 . . . . 0.0 114.202 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.99 161.58 8.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.213 2.205 . . . . 0.0 114.066 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -124.93 101.71 7.19 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.056 1.342 . . . . 0.0 110.279 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.2 p -81.57 149.01 28.84 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.63 173.9 16.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.229 1.412 . . . . 0.0 112.703 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.62 159.7 21.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.211 1.404 . . . . 0.0 112.8 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -53.66 123.67 12.9 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.8 mt 45.98 -110.11 0.24 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.434 1.893 . . . . 0.0 114.425 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -5.96 30.53 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.966 2.698 . . . . 0.0 116.233 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -78.61 41.2 0.4 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.265 2.033 . . . . 0.0 110.827 169.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -72.63 13.89 0.31 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.851 3.261 . . . . 0.0 117.165 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -58.84 -34.57 71.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -81.14 -39.09 26.12 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.445 1.098 . . . . 0.0 112.094 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.58 -47.16 82.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.189 0.996 . . . . 0.0 113.042 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.89 -37.76 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 121.287 -0.883 . . . . 0.0 111.557 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -66.3 -26.03 67.13 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.954 1.302 . . . . 0.0 114.21 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.1 -50.36 13.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.626 1.103 . . . . 0.0 110.756 167.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.55 -42.91 83.9 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.636 -0.665 . . . . 0.0 112.225 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -77.96 -6.92 55.97 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.6 mt -108.18 -23.37 11.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.242 1.017 . . . . 0.0 113.417 171.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -71.11 -49.62 42.33 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.762 1.625 . . . . 0.0 111.505 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -104.62 -167.52 1.36 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.207 1.803 . . . . 0.0 110.351 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 150.99 3.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.783 1.233 . . . . 0.0 114.064 167.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.21 -16.6 54.31 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -78.38 0.56 25.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.936 1.695 . . . . 0.0 114.519 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.31 165.12 16.98 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.382 0.992 . . . . 0.0 113.571 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -141.24 -176.56 4.75 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.138 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.94 170.42 37.98 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.115 -0.991 . . . . 0.0 114.906 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.36 168.67 19.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.337 1.455 . . . . 0.0 112.915 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -97.77 67.43 1.99 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 112.204 -169.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.55 122.03 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.201 1.401 . . . . 0.0 110.63 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.54 46.05 23.74 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.276 1.03 . . . . 0.0 113.197 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 60.18 19.81 9.16 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.142 1.777 . . . . 0.0 114.864 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.62 145.64 48.81 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.507 1.123 . . . . 0.0 112.36 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.16 130.79 43.03 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.068 0.937 . . . . 0.0 112.852 -169.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -132.0 109.31 9.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.977 2.511 . . . . 0.0 107.989 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -80.26 143.65 33.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.557 0.743 . . . . 0.0 112.014 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.4 p -138.72 171.42 14.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.8 1.64 . . . . 0.0 111.89 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.2 m80 59.18 34.18 23.07 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.374 1.07 . . . . 0.0 112.603 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.4 mt -92.56 151.8 19.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.272 1.429 . . . . 0.0 113.057 -173.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.09 171.25 11.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.754 2.422 . . . . 0.0 114.498 169.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.08 -26.8 61.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.186 0.995 . . . . 0.0 113.229 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -75.35 -0.97 21.61 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 140.89 34.06 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.047 1.294 . . . . 0.0 110.153 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.6 -63.25 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.28 15.6 t 61.62 -102.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 126.9 2.08 . . . . 0.0 114.689 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.8 m-90 -57.13 -32.43 13.33 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -64.52 4.77 0.53 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.677 2.918 . . . . 0.0 117.139 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.52 153.09 62.93 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.941 1.297 . . . . 0.0 112.097 169.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.51 -21.92 11.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.468 2.778 . . . . 0.0 115.518 -171.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -131.65 -63.63 0.82 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.253 1.388 . . . . 0.0 112.906 -174.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.358 0.0 OUTLIER 40.31 28.74 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 119.538 3.162 . . . . 0.0 119.538 177.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 124.875 1.27 . . . . 0.0 110.15 169.389 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.9 tttt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -87.0 171.19 10.94 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.181 0.992 . . . . 0.0 112.058 170.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.38 -179.21 44.85 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.173 0.892 . . . . 0.0 114.377 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -120.76 129.73 53.73 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.035 -1.273 . . . . 0.0 110.792 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -70.4 117.36 11.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.578 0.626 . . . . 0.0 111.69 -172.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 p -155.04 145.78 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 126.634 1.973 . . . . 0.0 109.356 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.81 110.88 14.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.339 -0.851 . . . . 0.0 109.818 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -59.47 -26.38 65.19 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -79.46 -44.09 22.0 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.057 -1.027 . . . . 0.0 111.769 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 p -144.5 104.34 4.05 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.558 1.943 . . . . 0.0 108.076 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.76 58.29 0.51 Allowed Glycine 0 N--CA 1.468 0.822 0 C-N-CA 126.859 2.171 . . . . 0.0 117.9 -166.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 144.84 56.43 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.031 0.915 . . . . 0.0 112.18 170.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -73.3 146.65 45.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.499 1.119 . . . . 0.0 112.546 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.27 89.1 2.99 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.435 1.494 . . . . 0.0 108.94 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 p -76.0 166.11 23.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.631 1.972 . . . . 0.0 114.228 -168.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -127.19 142.09 51.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.294 1.438 . . . . 0.0 110.166 168.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.23 -36.51 61.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.54 1.136 . . . . 0.0 112.467 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -151.77 168.08 26.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.485 1.514 . . . . 0.0 112.196 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.8 158.33 32.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.473 -0.767 . . . . 0.0 111.421 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.85 -2.61 54.29 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 116.584 1.393 . . . . 0.0 116.584 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.93 56.23 3.65 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.802 1.801 . . . . 0.0 110.448 169.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -60.89 -33.0 72.44 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.934 0.894 . . . . 0.0 111.766 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.01 -39.93 56.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.511 1.925 . . . . 0.0 113.826 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.19 -48.04 74.82 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.935 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 t -70.25 -33.45 71.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.917 0.887 . . . . 0.0 113.027 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.69 -49.83 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.818 0.847 . . . . 0.0 110.084 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.3 mtm-85 -62.1 -49.01 77.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.139 0.576 . . . . 0.0 112.266 174.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -60.27 -40.77 91.55 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.891 1.223 . . . . 0.0 113.649 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.58 -47.9 65.59 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.85 0.75 . . . . 0.0 111.325 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -71.3 -22.89 61.89 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.5 mt -80.63 -16.26 54.52 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 170.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -91.69 -33.81 14.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.178 0.991 . . . . 0.0 113.548 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -115.15 -76.83 0.57 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.931 0.892 . . . . 0.0 113.226 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.53 152.45 23.67 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.691 1.597 . . . . 0.0 110.897 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -62.4 -25.95 68.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -168.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -74.3 -9.46 58.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.48 158.9 32.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -135.68 177.85 7.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.959 2.104 . . . . 0.0 110.831 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.65 -175.91 47.66 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 114.951 0.741 . . . . 0.0 114.951 173.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.71 161.48 42.51 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.854 1.662 . . . . 0.0 112.426 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.1 132.29 35.11 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.321 -0.862 . . . . 0.0 111.731 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -154.61 140.66 18.37 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.094 0.958 . . . . 0.0 111.472 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.2 43.59 22.79 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 118.982 0.81 . . . . 0.0 112.951 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 58.7 27.92 16.56 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.65 2.38 . . . . 0.0 115.304 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.4 160.41 43.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.759 1.223 . . . . 0.0 112.525 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.75 123.43 31.9 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.006 -1.059 . . . . 0.0 112.506 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -102.06 129.98 48.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 109.165 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.74 150.36 20.47 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 112.432 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -139.91 167.55 21.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.213 1.405 . . . . 0.0 111.779 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.9 m80 62.94 8.97 3.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.787 2.435 . . . . 0.0 116.074 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.21 158.49 11.37 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.212 1.805 . . . . 0.0 112.452 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -56.55 148.9 18.48 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.98 -9.48 21.89 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -105.28 4.12 30.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 130.19 43.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.43 1.014 . . . . 0.0 113.024 -173.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 p -153.49 58.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 124.029 1.871 . . . . 0.0 110.604 -169.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.01 -30.11 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.679 1.592 . . . . 0.0 112.654 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.344 4.2 m-90 -80.01 -160.37 0.02 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 125.92 1.688 . . . . 0.0 115.156 -166.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.26 0.1 OUTLIER 36.21 64.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.093 2.529 . . . . 0.0 115.378 -161.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.67 127.43 92.63 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.005 0.922 . . . . 0.0 112.419 -173.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -71.31 -16.27 31.33 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.403 2.736 . . . . 0.0 115.007 -174.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -130.95 -26.38 2.18 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tptm 64.34 -29.23 0.1 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 119.293 3.072 . . . . 0.0 119.293 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 . . . . . 0 N--CA 1.478 0.939 0 C-N-CA 126.253 1.821 . . . . 0.0 112.509 174.685 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 93.2 mttt . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 120.585 0.231 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -126.26 138.39 53.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.169 1.388 . . . . 0.0 109.117 169.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.63 -169.49 40.05 Favored Glycine 0 N--CA 1.47 0.905 0 N-CA-C 115.513 0.965 . . . . 0.0 115.513 -172.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -70.2 140.25 52.46 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.81 94.35 2.75 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 105.385 -2.08 . . . . 0.0 105.385 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.98 131.26 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.112 0.965 . . . . 0.0 111.969 -169.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -75.85 97.49 3.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.489 1.116 . . . . 0.0 110.504 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -26.53 55.07 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -72.23 -7.11 47.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.108 1.763 . . . . 0.0 115.157 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -147.63 -21.33 0.37 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.7 84.57 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.038 1.304 . . . . 0.0 114.891 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -76.88 141.49 40.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.989 0.894 . . . . 0.0 111.249 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' CD ' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -86.34 143.65 27.76 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 176.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -71.33 116.27 11.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.008 0.923 . . . . 0.0 109.911 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -75.14 165.25 25.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.115 1.366 . . . . 0.0 114.015 -173.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.5 m -120.38 141.23 50.28 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.576 1.55 . . . . 0.0 111.396 169.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.89 -17.8 58.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.693 1.197 . . . . 0.0 113.202 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -141.35 147.65 38.42 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.827 1.651 . . . . 0.0 113.127 173.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.88 154.47 28.34 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.148 . . . . 0.0 110.427 168.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.35 -12.61 1.77 Allowed Glycine 0 CA--C 1.539 1.592 0 N-CA-C 116.461 1.345 . . . . 0.0 116.461 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.49 140.07 48.01 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.627 -1.514 . . . . 0.0 110.112 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.12 -37.24 5.4 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.108 1.363 . . . . 0.0 112.934 -174.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -55.28 -45.64 76.17 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.7 -47.45 78.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.599 -0.688 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.62 -39.55 84.72 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.657 -0.687 . . . . 0.0 112.152 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.88 -48.17 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.322 1.419 . . . . 0.0 111.64 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.9 mtm-85 -62.6 -33.51 75.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.899 0.88 . . . . 0.0 113.183 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.48 -39.29 38.79 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -60.16 -49.71 76.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.471 1.032 . . . . 0.0 110.219 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -69.91 -7.0 36.68 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.9 mt -95.85 -37.17 10.84 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 0.0 113.045 169.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -81.27 -23.24 38.08 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -121.79 -171.12 2.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.005 2.122 . . . . 0.0 110.617 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -53.58 148.48 9.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.933 1.693 . . . . 0.0 112.623 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -62.95 -22.88 67.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.853 -1.154 . . . . 0.0 114.019 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -79.79 4.22 17.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.52 153.47 42.17 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.719 1.145 . . . . 0.0 114.06 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -140.29 164.51 29.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.822 2.049 . . . . 0.0 111.411 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.69 -174.97 41.04 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -157.74 171.15 20.83 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.901 2.08 . . . . 0.0 112.347 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.1 m -92.66 126.15 37.62 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -151.1 147.29 26.89 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.922 2.089 . . . . 0.0 110.179 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.65 36.67 14.52 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 61.06 19.55 10.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.556 1.943 . . . . 0.0 114.893 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.02 161.91 34.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.737 1.615 . . . . 0.0 112.269 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.9 t -77.99 129.76 35.68 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.707 0.765 . . . . 0.0 111.012 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -118.96 112.2 19.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.401 2.28 . . . . 0.0 109.526 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.6 m -99.36 146.34 26.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.46 0.704 . . . . 0.0 111.359 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.56 151.34 35.08 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.378 1.071 . . . . 0.0 112.679 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.7 m80 64.05 24.65 13.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.911 1.684 . . . . 0.0 114.914 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.34 163.47 18.07 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.372 1.469 . . . . 0.0 112.256 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.19 1.76 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.153 1.781 . . . . 0.0 114.66 172.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.7 -16.19 36.86 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -75.2 -9.04 58.19 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.47 156.41 38.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.047 0.927 . . . . 0.0 113.448 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -157.81 156.47 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 111.591 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -86.08 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.184 0.994 . . . . 0.0 109.056 167.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -66.99 -31.57 4.03 Favored Pre-proline 0 CA--C 1.56 1.353 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -87.16 54.12 2.8 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 123.267 2.645 . . . . 0.0 113.726 -170.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.22 129.54 79.59 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.858 1.263 . . . . 0.0 111.519 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.28 -25.02 31.21 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.527 2.151 . . . . 0.0 114.113 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -79.69 -44.22 21.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -169.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -145.81 160.21 42.09 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.159 2.184 . . . . 0.0 110.457 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 N--CA 1.48 1.052 0 C-N-CA 125.064 1.346 . . . . 0.0 113.069 -171.494 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.2 tttt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -135.59 144.11 45.99 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.305 1.442 . . . . 0.0 111.335 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.32 179.49 43.09 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 116.861 1.504 . . . . 0.0 116.861 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -73.75 128.55 35.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.967 1.707 . . . . 0.0 112.891 -174.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -77.72 121.66 24.32 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.485 -0.759 . . . . 0.0 112.367 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.54 150.5 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.828 1.251 . . . . 0.0 112.265 -171.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.88 111.65 12.64 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.131 -0.981 . . . . 0.0 111.046 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -59.73 -27.97 66.95 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -81.49 -54.97 4.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.028 0.931 . . . . 0.0 112.473 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 p -112.0 -3.55 14.76 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.54 78.78 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.254 1.407 . . . . 0.0 116.458 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.5 m -63.73 140.88 58.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.22 1.51 . . . . 0.0 113.647 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -89.04 140.17 29.71 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.999 1.319 . . . . 0.0 111.058 168.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -97.26 97.86 9.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.367 0.667 . . . . 0.0 111.622 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -73.68 152.36 40.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.452 1.501 . . . . 0.0 113.288 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -147.99 147.58 29.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.643 1.577 . . . . 0.0 110.479 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.73 -48.27 5.01 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -87.86 111.07 21.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.844 0.858 . . . . 0.0 110.732 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.3 mt -77.78 149.86 34.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.32 2.248 . . . . 0.0 112.965 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.43 -25.37 0.59 Allowed Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.526 1.536 . . . . 0.0 114.854 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.52 148.3 49.66 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.725 1.61 . . . . 0.0 112.815 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -110.54 -10.65 14.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.964 1.306 . . . . 0.0 113.884 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.68 -32.69 59.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 114.9 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -96.27 -39.45 9.65 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.917 1.287 . . . . 0.0 113.377 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.17 -23.39 41.09 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -170.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.05 -44.36 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.521 1.51 . . . . 0.0 111.23 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -58.58 -49.58 76.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.622 0.769 . . . . 0.0 112.244 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -62.24 -43.66 98.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.99 0.814 . . . . 0.0 111.711 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.6 t -60.21 -45.78 92.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.596 1.158 . . . . 0.0 111.843 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.23 -21.77 45.74 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.0 mt -81.48 -38.36 26.47 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.603 1.161 . . . . 0.0 112.155 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -69.94 -43.49 71.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.942 0.792 . . . . 0.0 112.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -106.44 -83.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.042 0.937 . . . . 0.0 112.999 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -150.54 148.41 28.65 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.806 1.242 . . . . 0.0 110.852 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -63.41 -22.22 66.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 -167.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -87.97 6.92 33.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.137 1.375 . . . . 0.0 114.485 173.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.5 166.31 22.91 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.876 -1.14 . . . . 0.0 112.765 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -149.09 148.72 30.01 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.798 1.239 . . . . 0.0 111.25 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.48 171.76 40.06 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 119.544 1.066 . . . . 0.0 115.015 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -148.53 171.15 16.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.885 1.274 . . . . 0.0 112.719 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.5 t -86.99 124.06 32.77 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -146.56 131.58 18.23 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.32 1.448 . . . . 0.0 111.672 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.82 46.38 24.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.102 1.361 . . . . 0.0 112.763 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.471 1.908 . . . . 0.0 115.665 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.96 157.83 44.09 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.869 -1.144 . . . . 0.0 112.109 170.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 130.95 41.46 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.336 -0.852 . . . . 0.0 111.584 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -102.72 136.1 43.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.538 2.335 . . . . 0.0 108.453 170.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.2 t -129.31 144.39 51.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.816 1.246 . . . . 0.0 110.866 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.3 p -127.14 171.77 11.12 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.349 1.46 . . . . 0.0 114.093 -167.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 62.37 28.89 17.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.221 2.208 . . . . 0.0 114.011 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -72.97 138.99 46.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.665 1.186 . . . . 0.0 113.179 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.21 150.87 40.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 166.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.72 -15.7 59.19 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.624 -1.298 . . . . 0.0 113.509 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -78.24 -5.13 50.99 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.02 151.23 45.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.325 1.05 . . . . 0.0 112.78 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -97.28 123.5 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.114 0.966 . . . . 0.0 110.626 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.8 -40.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.567 1.547 . . . . 0.0 112.472 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -69.93 145.97 94.79 Favored Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 121.132 -0.98 . . . . 0.0 112.744 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.94 141.74 66.29 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.512 2.808 . . . . 0.0 115.411 -171.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.33 155.24 84.07 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.217 1.007 . . . . 0.0 111.694 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.44 -30.06 5.52 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.908 2.406 . . . . 0.0 113.683 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -97.4 -50.31 4.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.727 0.811 . . . . 0.0 111.108 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 52.34 24.42 2.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.545 3.138 . . . . 0.0 117.303 170.547 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 125.764 1.625 . . . . 0.0 110.269 176.818 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.3 tttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.92 169.07 18.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.952 0.901 . . . . 0.0 113.314 -167.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.15 160.13 23.02 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.64 147.21 52.22 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.006 1.322 . . . . 0.0 111.276 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -80.21 132.46 35.88 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.789 -1.194 . . . . 0.0 112.29 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.0 151.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.61 1.164 . . . . 0.0 111.875 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.19 155.56 34.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 122.579 1.181 . . . . 0.0 112.921 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -72.98 -30.59 63.94 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.848 -1.157 . . . . 0.0 111.249 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -85.79 -23.77 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -158.84 156.64 30.04 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.002 -1.061 . . . . 0.0 112.901 -173.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.03 10.36 20.37 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.942 1.258 . . . . 0.0 115.659 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.2 m -71.07 133.9 46.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.879 1.339 . . . . 0.0 113.689 -171.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.97 155.05 39.6 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.597 1.559 . . . . 0.0 113.298 172.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.64 101.76 9.4 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 110.013 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 p -77.64 143.74 37.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 113.114 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.5 m -98.51 149.75 22.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.671 1.188 . . . . 0.0 108.86 169.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.65 -26.11 62.41 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -143.58 152.35 41.3 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.591 1.956 . . . . 0.0 111.442 169.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD21 ' H ' ' A' ' 44' ' ' PHE . 85.2 mt -61.98 136.01 57.79 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 167.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.63 5.82 89.22 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -76.6 50.03 0.65 Allowed 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.439 2.12 . . . . 0.0 112.297 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -56.94 -37.39 71.47 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.957 1.303 . . . . 0.0 113.869 -166.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.27 59.19 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.397 1.479 . . . . 0.0 113.843 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -75.39 -46.84 30.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.779 1.232 . . . . 0.0 111.655 170.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -65.1 -37.25 86.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.163 -0.96 . . . . 0.0 112.528 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.36 -48.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.041 0.937 . . . . 0.0 110.773 173.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -57.45 -58.12 9.69 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.001 1.321 . . . . 0.0 112.096 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.07 -35.51 79.98 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -174.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.3 t -66.47 -47.38 73.28 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.364 0.983 . . . . 0.0 111.303 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.38 -21.78 61.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.6 mt -79.92 -35.3 38.06 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.495 170.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -78.93 -48.19 15.02 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -95.61 -75.1 0.53 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.368 1.067 . . . . 0.0 111.578 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -161.19 153.63 20.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.132 0.973 . . . . 0.0 112.3 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -58.67 -26.86 64.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -92.24 6.34 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 150.21 49.28 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.185 0.902 . . . . 0.0 112.969 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -121.59 179.22 4.53 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.129 1.772 . . . . 0.0 109.868 171.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.46 -178.94 48.34 Favored Glycine 0 CA--C 1.533 1.203 0 O-C-N 121.111 -0.993 . . . . 0.0 115.073 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -152.55 168.1 26.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.82 2.048 . . . . 0.0 112.589 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -101.87 121.23 41.71 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.254 1.022 . . . . 0.0 111.269 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -151.93 147.04 26.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.021 1.729 . . . . 0.0 109.856 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.21 40.23 25.57 Favored 'General case' 0 CA--C 1.551 1.009 0 O-C-N 121.002 -1.061 . . . . 0.0 112.52 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.418 ' H ' HD21 ' A' ' 19' ' ' LEU . 30.4 m-85 57.49 8.72 0.66 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.878 2.871 . . . . 0.0 116.891 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.9 160.95 34.23 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.765 1.226 . . . . 0.0 113.404 -173.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.8 129.09 37.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -122.14 117.94 27.48 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.746 2.018 . . . . 0.0 109.787 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.1 m -80.29 149.5 30.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.009 1.324 . . . . 0.0 112.829 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.0 p -132.95 162.43 31.66 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.997 1.719 . . . . 0.0 112.566 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 58.76 30.44 20.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.966 1.706 . . . . 0.0 113.968 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.26 151.06 44.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.442 1.497 . . . . 0.0 114.077 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.28 154.6 37.73 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.147 0.975 . . . . 0.0 111.568 166.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -60.44 -16.75 39.17 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.817 -1.177 . . . . 0.0 113.184 174.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.09 -8.68 59.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.22 1.408 . . . . 0.0 114.146 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 151.26 46.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.646 1.179 . . . . 0.0 113.958 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.81 134.67 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.245 1.418 . . . . 0.0 112.225 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 -61.77 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.083 1.353 . . . . 0.0 113.456 -169.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -83.0 -30.34 0.48 Allowed Pre-proline 0 N--CA 1.48 1.055 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -70.47 16.68 0.25 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.444 3.429 . . . . 0.0 116.94 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.43 117.9 45.2 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 119.592 1.087 . . . . 0.0 109.552 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.04 -26.5 10.79 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 121.998 1.799 . . . . 0.0 114.786 -169.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -142.51 -32.5 0.49 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 117.589 2.44 . . . . 0.0 117.589 -166.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -66.25 105.54 1.44 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.452 1.024 . . . . 0.0 111.981 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 C-N-CA 126.301 1.84 . . . . 0.0 112.361 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.594 0.235 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.64 160.71 31.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.431 1.493 . . . . 0.0 110.607 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.2 173.1 39.98 Favored Glycine 0 N--CA 1.47 0.902 0 O-C-N 120.951 -1.093 . . . . 0.0 114.016 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -74.9 148.39 40.17 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -76.39 143.73 40.5 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 110.845 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.95 153.42 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.321 1.448 . . . . 0.0 111.484 -170.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.15 157.44 13.18 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.326 1.05 . . . . 0.0 112.661 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -93.44 -10.92 33.45 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.855 1.262 . . . . 0.0 114.156 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -111.88 -44.8 3.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.762 1.225 . . . . 0.0 113.446 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 p -107.37 163.08 13.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.512 1.125 . . . . 0.0 112.672 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.28 9.79 5.32 Favored Glycine 0 CA--C 1.54 1.632 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.0 m -78.36 123.05 26.56 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.063 1.432 . . . . 0.0 112.565 -174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -66.99 158.92 29.73 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.364 1.065 . . . . 0.0 111.88 168.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.42 112.38 12.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 110.74 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.8 p -81.64 145.73 30.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.823 0.849 . . . . 0.0 112.547 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.6 m -114.25 158.26 21.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.124 1.769 . . . . 0.0 111.205 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.27 -34.53 14.21 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -146.87 158.66 43.98 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.291 1.436 . . . . 0.0 112.948 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.41 155.45 37.4 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.69 -0.07 82.93 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.755 -1.216 . . . . 0.0 115.549 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -90.5 29.07 1.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.188 1.395 . . . . 0.0 111.17 167.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -52.8 -29.91 30.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.463 2.705 . . . . 0.0 115.867 -167.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.12 -20.46 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.819 1.19 . . . . 0.0 113.102 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -56.5 -52.49 64.54 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.37 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -72.77 -29.81 63.61 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.55 -52.72 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.989 0.813 . . . . 0.0 110.176 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 ttp-105 -61.78 -57.87 10.19 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 125.467 1.507 . . . . 0.0 113.109 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.47 -30.74 71.56 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.315 -0.865 . . . . 0.0 112.783 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -74.13 -44.53 53.41 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.765 0.711 . . . . 0.0 112.106 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -22.33 63.5 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -78.2 -18.98 54.75 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 169.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -90.97 -64.99 1.05 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.355 1.062 . . . . 0.0 113.608 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -93.42 -57.15 2.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -168.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -156.83 142.7 17.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.597 0.759 . . . . 0.0 111.447 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.63 -17.53 64.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 m -89.07 3.85 50.36 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.63 1.572 . . . . 0.0 113.906 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 164.09 14.24 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.66 -1.275 . . . . 0.0 112.974 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -152.62 152.72 32.13 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.61 1.164 . . . . 0.0 110.935 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.33 39.79 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 123.385 0.517 . . . . 0.0 114.305 -170.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -161.16 176.56 11.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.631 1.572 . . . . 0.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -98.06 141.14 31.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.185 0.994 . . . . 0.0 109.89 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -148.4 134.3 19.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.439 1.096 . . . . 0.0 109.769 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.22 55.14 6.6 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.209 1.004 . . . . 0.0 113.032 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 57.63 11.21 1.21 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.76 155.03 50.51 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.651 1.114 . . . . 0.0 112.816 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -69.71 158.64 35.0 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.283 1.433 . . . . 0.0 113.113 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -146.2 132.34 19.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.419 1.088 . . . . 0.0 112.565 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.9 m -109.4 145.29 36.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.477 2.311 . . . . 0.0 111.349 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.7 p -117.69 155.49 29.85 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 61.07 18.73 9.27 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.844 2.458 . . . . 0.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.47 148.19 33.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.485 1.514 . . . . 0.0 112.0 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 158.99 20.29 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.1 pm0 -56.11 -23.38 33.89 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.398 1.479 . . . . 0.0 113.261 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -79.2 -4.61 51.39 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.55 146.14 34.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.832 -1.168 . . . . 0.0 113.178 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.36 138.0 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.827 1.651 . . . . 0.0 109.832 170.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.68 -4.81 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -172.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -59.77 147.94 77.16 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.32 125.92 14.64 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.27 3.313 . . . . 0.0 114.317 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.54 138.23 40.91 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.646 1.978 . . . . 0.0 112.686 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.32 -22.1 60.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.553 2.169 . . . . 0.0 112.585 172.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.16 -68.45 0.17 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.485 1.914 . . . . 0.0 112.926 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -140.86 120.0 12.88 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.347 1.059 . . . . 0.0 111.87 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 . . . . . 0 N--CA 1.474 0.754 0 C-N-CA 125.522 1.529 . . . . 0.0 113.391 -178.089 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.7 tttt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.783 -0.081 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.23 168.25 19.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.759 1.623 . . . . 0.0 110.884 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.41 169.78 37.56 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.75 126.32 30.8 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.514 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 133.62 50.04 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.387 -0.821 . . . . 0.0 111.388 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.12 139.96 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.855 0.862 . . . . 0.0 110.979 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -70.9 124.56 24.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.019 0.927 . . . . 0.0 112.351 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -66.04 -24.19 66.69 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -83.59 -58.62 2.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.88 0.872 . . . . 0.0 111.88 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -92.09 -20.27 21.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.91 4.97 90.39 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.47 1.033 . . . . 0.0 114.663 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -85.23 158.58 20.3 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -66.34 156.49 34.32 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.83 1.652 . . . . 0.0 113.421 169.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.53 147.57 22.87 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.799 1.239 . . . . 0.0 111.389 171.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -74.8 167.55 21.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.929 0.891 . . . . 0.0 112.507 169.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.71 162.36 29.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.224 1.41 . . . . 0.0 112.977 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.22 178.37 3.92 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.937 1.295 . . . . 0.0 111.963 168.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -55.47 146.53 19.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.272 1.029 . . . . 0.0 110.79 169.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -51.06 143.83 9.94 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -167.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.84 -6.95 79.6 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 126.05 1.786 . . . . 0.0 115.726 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -62.45 135.89 57.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.092 1.446 . . . . 0.0 111.45 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.4 65.87 1.24 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.496 1.519 . . . . 0.0 110.876 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -134.85 -64.44 0.66 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.313 1.845 . . . . 0.0 112.311 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -91.47 -41.45 10.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.311 -0.868 . . . . 0.0 112.504 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.55 -35.91 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.058 0.943 . . . . 0.0 111.714 169.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.52 -45.14 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.955 0.902 . . . . 0.0 111.77 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -65.87 -53.38 40.4 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 111.242 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.63 -36.07 75.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.226 0.921 . . . . 0.0 112.871 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -63.6 -55.32 24.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.916 0.78 . . . . 0.0 111.348 170.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.03 -6.07 39.66 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 -26.57 15.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.899 1.68 . . . . 0.0 112.914 168.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.83 -40.97 24.02 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.284 1.033 . . . . 0.0 112.236 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.82 -171.57 2.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.822 2.049 . . . . 0.0 109.943 171.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.9 154.09 15.9 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.526 0.73 . . . . 0.0 112.514 166.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 pm0 -64.22 -17.06 63.2 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -65.1 -17.3 64.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.039 1.736 . . . . 0.0 115.277 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.57 175.9 3.84 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -150.75 -170.47 3.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.294 1.438 . . . . 0.0 110.835 172.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.59 179.24 43.26 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 119.998 1.272 . . . . 0.0 115.711 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -158.08 164.75 36.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.249 1.42 . . . . 0.0 113.499 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 98.3 m -87.52 136.34 32.98 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.0 1.32 . . . . 0.0 113.067 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -155.03 141.08 18.37 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.696 1.198 . . . . 0.0 110.676 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.17 33.72 18.62 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 59.07 27.4 16.34 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.53 1.932 . . . . 0.0 114.394 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -140.83 162.36 35.63 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.338 1.055 . . . . 0.0 113.11 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.4 t -92.71 132.9 36.53 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.219 1.007 . . . . 0.0 113.225 -169.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -117.38 125.16 50.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.01 1.724 . . . . 0.0 110.48 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.0 m -97.01 142.41 28.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.355 1.062 . . . . 0.0 112.45 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.8 p -127.55 166.55 17.79 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.234 1.414 . . . . 0.0 111.834 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.4 m80 60.98 39.84 16.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.039 1.736 . . . . 0.0 113.817 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -89.21 148.55 23.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.063 1.345 . . . . 0.0 111.061 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -62.08 145.44 53.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.251 0.548 . . . . 0.0 112.323 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.64 -26.85 65.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.39 -0.819 . . . . 0.0 112.708 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -76.43 1.08 17.42 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.8 159.94 24.99 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.553 1.141 . . . . 0.0 112.158 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -138.83 132.11 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.554 1.142 . . . . 0.0 109.246 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -117.95 -11.72 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -168.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -56.36 151.76 26.89 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.85 143.92 8.74 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 125.45 4.1 . . . . 0.0 115.366 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.51 116.54 41.27 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.954 0.902 . . . . 0.0 109.208 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -67.73 -22.08 44.03 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.101 1.867 . . . . 0.0 112.814 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -85.63 -52.94 5.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.76 1.224 . . . . 0.0 113.299 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -63.04 157.04 23.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.298 1.439 . . . . 0.0 113.131 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.985 0 C-N-CA 124.802 1.241 . . . . 0.0 112.797 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.9 tttt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.19 160.39 16.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.13 1.372 . . . . 0.0 110.516 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.39 34.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -63.4 149.77 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 0.0 111.813 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.37 92.42 5.81 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.918 0.887 . . . . 0.0 109.425 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -78.68 135.96 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -169.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -136.82 147.38 46.55 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.556 1.17 . . . . 0.0 112.885 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -88.59 -30.42 19.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.073 . . . . 0.0 112.576 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -82.39 -37.41 25.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.598 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -112.35 133.49 54.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.197 1.799 . . . . 0.0 111.564 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.62 -28.07 15.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.172 0.892 . . . . 0.0 113.107 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m -81.91 148.41 28.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.979 0.912 . . . . 0.0 112.181 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -53.47 136.89 37.27 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.912 1.685 . . . . 0.0 113.835 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -69.14 127.95 34.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.975 0.893 . . . . 0.0 111.351 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -78.0 152.98 32.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.981 1.712 . . . . 0.0 113.286 -170.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.65 147.78 47.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.146 1.378 . . . . 0.0 109.907 169.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.04 -31.9 21.73 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -167.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -150.71 136.77 18.41 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.74 0.816 . . . . 0.0 111.678 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.73 142.3 55.02 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.512 1.125 . . . . 0.0 110.434 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.55 -26.59 3.06 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.697 1.142 . . . . 0.0 115.322 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -80.29 69.07 6.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.408 1.604 . . . . 0.0 110.164 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -85.93 -14.31 45.13 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.25 -31.14 70.94 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -167.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -74.85 -35.69 62.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.066 1.303 . . . . 0.0 113.011 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.85 -38.23 84.84 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.953 -1.092 . . . . 0.0 111.688 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.53 -45.33 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.144 -0.973 . . . . 0.0 111.905 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -54.3 -52.41 61.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.266 1.026 . . . . 0.0 111.29 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.4 -44.63 95.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.82 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -61.73 -43.68 98.38 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.943 0.792 . . . . 0.0 111.264 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -81.09 -8.08 59.69 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.2 -27.17 13.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.723 0.809 . . . . 0.0 112.786 169.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -73.66 -48.96 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.563 1.545 . . . . 0.0 111.892 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.59 -167.29 1.42 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.551 1.54 . . . . 0.0 110.735 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.05 152.66 3.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 170.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -56.31 -18.46 10.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -99.78 7.89 44.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.704 1.202 . . . . 0.0 113.23 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.37 160.4 19.07 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -138.7 -179.1 5.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.098 1.359 . . . . 0.0 111.008 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.66 -177.2 48.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.229 -0.919 . . . . 0.0 115.362 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.71 163.03 40.84 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.415 1.486 . . . . 0.0 113.739 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -85.39 119.3 25.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 110.55 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -143.06 128.82 19.32 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 111.022 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.26 34.48 11.56 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.167 0.987 . . . . 0.0 112.934 -170.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.253 84.3 m-85 59.75 27.69 17.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.677 1.991 . . . . 0.0 115.396 -174.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.89 149.38 47.61 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.593 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.1 t -72.84 131.53 42.38 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.369 -0.832 . . . . 0.0 112.322 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -132.63 134.82 45.36 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.896 1.679 . . . . 0.0 110.183 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.6 m -96.45 148.33 22.91 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.995 0.902 . . . . 0.0 112.821 -170.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -143.81 166.08 25.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.803 1.641 . . . . 0.0 111.35 -172.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.4 m80 57.74 34.43 24.43 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.259 1.023 . . . . 0.0 112.998 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.92 156.36 18.5 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.202 1.801 . . . . 0.0 113.145 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.55 155.81 24.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.353 1.461 . . . . 0.0 113.212 168.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -66.24 -15.61 63.33 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.88 -1.138 . . . . 0.0 112.588 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -5.45 26.64 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 170.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.5 143.37 51.71 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.822 1.646 . . . . 0.0 111.969 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.14 148.94 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.107 1.763 . . . . 0.0 110.515 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.64 -38.69 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -65.49 -27.98 2.4 Favored Pre-proline 0 CA--C 1.554 1.116 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -64.02 14.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.685 3.59 . . . . 0.0 118.857 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.65 100.35 7.06 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.784 1.234 . . . . 0.0 110.812 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.4 -2.81 12.29 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.056 2.504 . . . . 0.0 112.653 168.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.45 -68.7 0.29 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.096 1.759 . . . . 0.0 115.312 -168.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -147.18 132.32 18.32 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 127.234 2.214 . . . . 0.0 111.609 170.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 tttm . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -127.38 164.16 22.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.559 1.143 . . . . 0.0 111.721 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.98 158.47 30.56 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 115.698 1.039 . . . . 0.0 115.698 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -79.01 142.43 36.6 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.829 -0.806 . . . . 0.0 112.071 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.0 14.22 0.56 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -171.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.5 p -49.62 132.42 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.041 1.336 . . . . 0.0 111.753 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -84.56 74.62 10.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.175 1.39 . . . . 0.0 109.45 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -40.93 -7.76 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 1 C-N-CA 132.011 4.124 . . . . 0.0 119.727 -168.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.76 -23.17 67.07 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.803 1.241 . . . . 0.0 110.361 164.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.2 p -141.04 173.96 10.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.212 2.605 . . . . 0.0 110.258 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.72 10.91 68.1 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.986 -1.072 . . . . 0.0 115.295 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.51 139.79 57.01 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.487 1.515 . . . . 0.0 114.776 -168.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -82.6 160.56 22.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.907 2.083 . . . . 0.0 114.459 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -129.1 83.33 2.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.201 1.4 . . . . 0.0 111.829 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -72.97 149.44 43.33 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.232 1.413 . . . . 0.0 113.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -139.51 112.09 7.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.236 2.215 . . . . 0.0 108.681 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.75 0.43 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -146.18 160.97 41.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.752 2.021 . . . . 0.0 110.193 -175.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.4 mt -106.53 157.32 17.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.305 0.642 . . . . 0.0 110.075 168.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.26 -26.02 1.27 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.275 1.417 . . . . 0.0 116.465 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -76.88 66.2 2.71 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.548 1.674 . . . . 0.0 112.495 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -63.47 -21.15 66.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.559 1.544 . . . . 0.0 115.0 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -49.56 -47.92 48.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.935 1.694 . . . . 0.0 113.049 -170.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.29 -46.85 85.33 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.207 -0.933 . . . . 0.0 113.063 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.4 m -69.24 -30.6 68.77 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.68 -52.98 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.773 1.17 . . . . 0.0 110.027 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -57.36 -42.5 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.737 1.215 . . . . 0.0 113.318 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -77.16 -34.68 56.41 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.01 -41.32 74.47 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.705 1.139 . . . . 0.0 112.268 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -67.47 -5.17 13.72 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -106.04 -28.08 10.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.616 1.167 . . . . 0.0 113.149 171.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -67.47 -54.78 17.24 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.646 1.178 . . . . 0.0 111.386 168.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -100.05 -176.98 3.4 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.25 1.82 . . . . 0.0 109.449 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -56.0 155.96 5.83 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.885 1.274 . . . . 0.0 113.321 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -61.42 -18.95 61.23 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -170.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.7 m -80.35 -4.64 54.28 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.44 158.64 35.92 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.051 1.296 . . . . 0.0 113.485 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -141.19 162.81 34.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.079 1.752 . . . . 0.0 111.271 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.7 173.85 41.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 121.781 -0.575 . . . . 0.0 114.135 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -146.78 168.5 21.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.887 1.275 . . . . 0.0 113.567 -176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.1 m -82.52 60.63 5.25 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.733 1.213 . . . . 0.0 111.633 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.78 115.18 3.48 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.128 0.971 . . . . 0.0 110.531 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 46.96 52.87 11.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 121.948 0.88 . . . . 0.0 112.484 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 67.5 16.75 9.99 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.05 154.06 39.75 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.761 -1.212 . . . . 0.0 112.718 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -74.27 132.78 42.42 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -169.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -135.71 121.78 20.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.379 1.871 . . . . 0.0 110.597 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.6 m -81.98 150.17 27.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.644 1.578 . . . . 0.0 112.765 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -132.06 159.42 38.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.008 1.723 . . . . 0.0 111.933 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 65.06 14.48 9.39 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.37 162.63 29.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.183 1.393 . . . . 0.0 113.088 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.0 172.45 0.42 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 113.831 167.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.43 -14.81 54.39 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.616 -1.302 . . . . 0.0 113.524 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -85.0 18.49 2.47 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.94 27.46 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.617 -1.302 . . . . 0.0 113.338 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.27 131.06 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.03 1.332 . . . . 0.0 111.989 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 m -97.83 171.39 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.012 1.325 . . . . 0.0 112.867 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -70.09 -28.4 1.39 Allowed Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 -169.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -72.58 119.72 6.28 Favored 'Trans proline' 0 C--N 1.353 0.764 0 CA-C-N 123.485 2.28 . . . . 0.0 111.107 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.2 133.27 22.21 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.153 0.981 . . . . 0.0 109.781 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.28 -23.69 38.45 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.65 2.233 . . . . 0.0 114.035 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -138.28 -45.26 0.51 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.753 1.221 . . . . 0.0 113.003 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.46 135.38 57.64 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 120.038 1.29 . . . . 0.0 112.494 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 . . . . . 0 N--CA 1.482 1.167 0 C-N-CA 125.868 1.667 . . . . 0.0 112.193 -177.712 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.386 0.136 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.53 154.41 21.78 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.75 0.82 . . . . 0.0 111.003 168.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.85 141.11 11.3 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -80.91 107.37 13.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.146 2.178 . . . . 0.0 110.987 175.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.7 tp -78.07 110.33 12.93 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.763 -0.586 . . . . 0.0 112.1 -175.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.09 138.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.952 1.301 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.67 84.16 1.6 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 168.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -54.88 -2.84 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 118.972 2.952 . . . . 0.0 118.972 -167.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -70.59 -15.4 62.75 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.841 0.856 . . . . 0.0 111.043 163.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -134.63 154.42 51.52 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 129.871 3.269 . . . . 0.0 110.038 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.65 -20.42 56.26 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.76 107.98 14.03 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 118.909 1.354 . . . . 0.0 112.296 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 164.35 10.24 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.101 1.761 . . . . 0.0 114.664 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -66.82 117.46 8.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.556 1.142 . . . . 0.0 112.728 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -79.28 156.82 27.91 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.448 1.499 . . . . 0.0 113.193 176.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -130.14 146.13 51.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.914 1.686 . . . . 0.0 110.042 169.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.6 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.445 -0.785 . . . . 0.0 111.979 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.96 152.55 29.25 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.368 1.867 . . . . 0.0 111.293 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -86.67 153.59 21.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.273 1.029 . . . . 0.0 112.235 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.11 -26.77 1.47 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.67 1.129 . . . . 0.0 115.423 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.6 144.99 35.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.509 1.124 . . . . 0.0 112.25 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -137.41 -21.04 1.18 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -170.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.18 -47.08 75.72 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 121.934 2.152 . . . . 0.0 113.433 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -67.9 -49.01 64.36 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.705 1.602 . . . . 0.0 112.396 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.2 t -64.35 -40.22 95.42 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.494 -0.754 . . . . 0.0 112.488 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.74 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.68 1.192 . . . . 0.0 111.009 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.81 -51.08 71.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.919 1.287 . . . . 0.0 112.421 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.37 -33.77 73.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.604 -0.685 . . . . 0.0 112.602 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.74 -49.19 66.79 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.151 0.887 . . . . 0.0 111.652 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -70.01 -15.03 62.96 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.74 -17.81 29.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 113.105 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -85.28 -44.49 12.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.357 1.063 . . . . 0.0 112.161 171.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.44 -151.31 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.296 1.839 . . . . 0.0 110.543 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.73 157.71 28.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.745 2.018 . . . . 0.0 112.644 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -62.92 -22.28 66.65 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.2 p -80.12 4.19 18.1 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.98 161.68 28.41 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 120.361 -1.462 . . . . 0.0 114.101 172.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -146.83 171.26 15.46 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.633 1.973 . . . . 0.0 110.378 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.8 176.03 45.48 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.864 1.221 . . . . 0.0 113.928 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -151.63 167.56 27.75 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 118.246 1.023 . . . . 0.0 113.718 172.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.56 118.45 20.7 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.94 0.896 . . . . 0.0 112.962 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -140.16 133.59 30.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.019 2.528 . . . . 0.0 110.235 -174.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.98 24.06 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.947 1.299 . . . . 0.0 113.402 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 55.7 30.9 16.38 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.133 2.173 . . . . 0.0 114.603 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.09 160.29 40.67 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.271 1.828 . . . . 0.0 110.459 173.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.46 149.56 45.75 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.632 -1.292 . . . . 0.0 111.688 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -142.67 112.23 6.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.679 1.592 . . . . 0.0 109.484 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.8 m -75.65 148.06 39.0 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.738 0.815 . . . . 0.0 111.33 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -129.94 154.7 47.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.957 0.903 . . . . 0.0 112.477 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.9 m80 64.63 18.5 11.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.4 mt -75.12 168.27 20.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.897 1.279 . . . . 0.0 113.473 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.75 167.29 17.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.747 1.219 . . . . 0.0 114.223 169.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -60.93 -17.87 53.57 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.735 1.214 . . . . 0.0 113.388 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -80.88 1.35 31.21 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 143.61 57.8 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.602 -1.311 . . . . 0.0 113.6 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.7 t -75.98 147.27 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.389 1.476 . . . . 0.0 110.93 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.47 -171.86 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.433 1.093 . . . . 0.0 112.905 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 14.3 m-90 -37.16 142.82 0.37 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 128.723 2.809 . . . . 0.0 116.114 -171.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo 31.07 91.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.993 1 C-N-CA 127.06 5.173 . . . . 0.0 117.049 177.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.3 117.09 14.67 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.653 1.581 . . . . 0.0 112.274 -171.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.54 -13.01 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.99 2.46 . . . . 0.0 113.555 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -77.08 -36.52 55.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.158 1.383 . . . . 0.0 113.71 -174.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -151.55 129.97 12.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.601 1.561 . . . . 0.0 109.826 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 . . . . . 0 N--CA 1.475 0.821 0 C-N-CA 124.654 1.181 . . . . 0.0 110.741 178.255 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 tttt . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 119.931 -0.08 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.17 161.51 13.56 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.431 1.092 . . . . 0.0 113.592 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.64 162.58 28.93 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 172.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -71.43 134.96 46.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.158 1.383 . . . . 0.0 113.326 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.0 tp -82.72 128.28 34.22 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.121 -0.987 . . . . 0.0 111.476 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -148.49 133.21 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.311 1.044 . . . . 0.0 111.525 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -76.4 117.75 18.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.366 1.066 . . . . 0.0 110.83 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -70.47 -24.83 62.94 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -104.0 -29.93 10.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.947 0.899 . . . . 0.0 113.323 -170.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -145.75 61.66 1.26 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.618 1.967 . . . . 0.0 109.58 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.09 35.81 0.19 Allowed Glycine 0 N--CA 1.47 0.945 0 C-N-CA 129.516 3.436 . . . . 0.0 119.348 -167.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m -67.29 134.63 51.95 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.946 0.873 . . . . 0.0 108.927 169.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -56.44 140.28 46.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.85 1.66 . . . . 0.0 114.623 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -88.76 67.09 8.25 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 0.0 111.939 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -71.92 151.25 43.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.481 1.113 . . . . 0.0 113.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -117.75 145.74 44.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.347 1.859 . . . . 0.0 110.215 168.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.52 -29.0 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -133.8 154.75 50.78 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.799 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.87 61.49 1.46 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.716 1.606 . . . . 0.0 110.827 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.54 9.23 0.02 OUTLIER Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.683 1.135 . . . . 0.0 115.567 -169.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -86.0 28.87 0.77 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.013 1.906 . . . . 0.0 113.209 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -53.26 -29.36 32.41 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.846 2.058 . . . . 0.0 116.322 -168.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.39 -48.83 55.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.584 1.538 . . . . 0.0 113.221 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.95 -40.91 91.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.707 -0.621 . . . . 0.0 112.088 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.4 m -62.58 -38.9 91.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.308 0.504 . . . . 0.0 112.176 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.04 -45.9 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.033 0.933 . . . . 0.0 110.663 174.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -64.2 -29.53 70.63 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.107 1.363 . . . . 0.0 113.856 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.44 -54.9 6.28 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.295 -0.878 . . . . 0.0 110.626 167.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.2 t -59.72 -42.02 92.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.499 1.12 . . . . 0.0 113.009 -170.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.89 -14.67 61.93 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.0 mt -107.97 -34.0 7.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.33 1.052 . . . . 0.0 112.62 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -65.19 -20.76 66.6 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 171.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 51' ' ' LEU . 59.5 m-85 -123.6 -89.07 0.6 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.858 1.663 . . . . 0.0 110.143 174.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -161.06 151.29 17.66 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 128.262 2.625 . . . . 0.0 109.119 -172.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -62.84 -21.12 65.71 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 m -73.93 -5.1 39.13 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.77 164.25 26.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.882 1.219 . . . . 0.0 113.719 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -147.68 -174.2 4.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.357 1.463 . . . . 0.0 110.699 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.28 176.3 40.96 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 120.756 1.616 . . . . 0.0 116.512 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -154.19 171.92 18.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.857 1.663 . . . . 0.0 113.241 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -87.12 69.33 10.13 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 113.463 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.5 111.55 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.877 -1.139 . . . . 0.0 111.459 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.89 57.72 4.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.393 1.477 . . . . 0.0 112.908 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 64.56 15.85 9.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.954 2.102 . . . . 0.0 116.39 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 145.64 51.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.619 1.099 . . . . 0.0 112.356 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.12 131.7 46.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.285 -0.884 . . . . 0.0 112.441 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -132.81 124.38 27.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.661 2.384 . . . . 0.0 109.15 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -85.46 149.74 25.19 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.577 1.151 . . . . 0.0 112.201 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.74 167.0 17.9 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.072 1.749 . . . . 0.0 109.866 169.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.1 m80 65.05 25.73 12.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.299 1.04 . . . . 0.0 113.713 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 33' ' ' TYR . 32.4 mt -78.9 158.92 27.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.758 1.223 . . . . 0.0 112.354 173.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.21 155.26 17.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.477 1.511 . . . . 0.0 113.04 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -33.59 74.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.732 -1.23 . . . . 0.0 113.179 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -82.39 11.86 5.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.912 1.685 . . . . 0.0 114.441 174.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 129.42 41.93 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.486 1.494 . . . . 0.0 113.661 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.92 113.57 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.225 1.41 . . . . 0.0 111.369 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.0 -16.3 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.696 1.199 . . . . 0.0 114.137 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -74.07 132.75 79.3 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.856 0.862 . . . . 0.0 111.873 -173.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.91 137.96 22.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.227 2.618 . . . . 0.0 115.359 -168.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.04 163.51 55.03 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 111.756 171.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.56 -25.4 34.85 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.424 2.083 . . . . 0.0 113.18 170.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.24 -26.81 64.02 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.297 0.0 OUTLIER -65.04 7.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? . . . . . 0 N--CA 1.475 0.812 0 C-N-CA 125.988 1.715 . . . . 0.0 109.944 169.264 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.8 tttt . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -97.41 152.07 19.32 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.668 1.187 . . . . 0.0 110.411 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.65 24.26 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 117.491 1.756 . . . . 0.0 117.491 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.55 128.18 33.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.842 1.657 . . . . 0.0 110.268 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.5 tp -71.25 137.38 48.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -140.76 167.0 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.157 1.783 . . . . 0.0 111.941 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -97.98 137.75 36.33 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.334 1.454 . . . . 0.0 108.991 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -66.69 -22.24 66.08 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 120.971 -1.081 . . . . 0.0 112.425 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.23 -29.86 38.5 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.5 t -159.47 140.55 12.67 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.129 0.877 . . . . 0.0 112.913 -173.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.81 16.03 2.76 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 117.045 1.578 . . . . 0.0 117.045 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.03 132.99 45.01 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.515 1.658 . . . . 0.0 112.512 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 138.75 41.16 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -171.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -80.96 82.48 6.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.51 1.124 . . . . 0.0 111.13 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.3 p -70.1 153.23 43.42 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.891 0.876 . . . . 0.0 111.562 169.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -111.4 147.75 34.53 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.12 1.768 . . . . 0.0 109.861 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -43.19 70.18 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.436 -0.79 . . . . 0.0 112.962 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -141.65 151.75 43.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.895 1.678 . . . . 0.0 111.558 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.83 157.45 38.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.467 0.707 . . . . 0.0 111.131 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.64 -32.43 0.71 Allowed Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.328 1.442 . . . . 0.0 114.91 -176.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -76.16 66.34 2.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.421 1.888 . . . . 0.0 111.554 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -84.85 0.69 50.04 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.94 -47.12 87.09 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.444 1.475 . . . . 0.0 112.977 -171.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.89 -43.02 99.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.923 0.889 . . . . 0.0 112.379 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.77 -46.42 84.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.91 0.884 . . . . 0.0 112.336 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.79 -46.45 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.9 0.773 . . . . 0.0 111.219 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -61.71 -51.06 69.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.135 0.974 . . . . 0.0 112.143 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -26.75 67.66 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.782 -1.199 . . . . 0.0 113.594 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.47 -41.69 23.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -67.24 -31.75 72.31 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.391 -0.818 . . . . 0.0 112.169 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.66 -19.89 61.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -81.85 -66.85 0.84 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.269 1.028 . . . . 0.0 112.5 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -90.74 -67.16 0.87 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -157.88 148.71 20.98 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.54 1.536 . . . . 0.0 109.998 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.49 -25.16 66.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 m -74.66 -3.54 31.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 151.94 46.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.869 1.668 . . . . 0.0 113.378 -172.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -139.48 159.8 41.33 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.509 1.524 . . . . 0.0 111.033 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.03 174.46 43.55 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.842 1.211 . . . . 0.0 112.693 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -146.6 164.28 33.13 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 113.124 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.6 52.12 2.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.083 1.353 . . . . 0.0 113.257 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -53.08 120.63 6.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.658 1.183 . . . . 0.0 110.678 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.62 39.35 21.27 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.993 0.917 . . . . 0.0 113.429 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 65.62 22.52 11.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.427 1.891 . . . . 0.0 114.957 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.67 149.29 49.24 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.947 -1.095 . . . . 0.0 113.382 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -72.66 121.5 19.89 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -127.23 120.99 29.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.871 2.068 . . . . 0.0 108.983 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 55.9 m -109.97 156.28 20.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.464 1.106 . . . . 0.0 113.475 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -117.69 161.29 19.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.104 1.362 . . . . 0.0 113.78 -168.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 56.0 25.13 8.44 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.102 1.361 . . . . 0.0 114.558 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.22 151.46 44.29 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.07 1.748 . . . . 0.0 112.129 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -70.23 158.5 35.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.6 0.76 . . . . 0.0 112.146 169.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.08 -29.02 65.12 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.925 0.89 . . . . 0.0 112.785 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -80.41 11.76 3.44 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.83 143.39 55.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.715 -1.241 . . . . 0.0 112.918 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.4 132.68 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.838 0.855 . . . . 0.0 112.456 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -157.31 95.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.072 1.749 . . . . 0.0 108.857 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.392 25.5 m-90 51.12 -143.82 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.441 1.496 . . . . 0.0 113.697 -167.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER 34.21 45.61 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 124.335 3.356 . . . . 0.0 116.573 -165.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.25 142.64 84.87 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.351 1.06 . . . . 0.0 113.694 -169.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.71 -12.28 26.53 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.285 2.657 . . . . 0.0 111.781 167.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -104.36 -116.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.712 2.005 . . . . 0.0 112.611 -169.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -110.65 141.24 44.15 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 118.238 2.681 . . . . 0.0 118.238 -165.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 127.08 2.152 . . . . 0.0 107.591 166.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.7 tttt . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 119.895 -0.098 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -121.05 153.04 37.92 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.782 1.233 . . . . 0.0 113.013 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.79 163.88 27.31 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 121.459 -0.776 . . . . 0.0 113.616 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -70.91 148.71 47.47 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.097 -1.237 . . . . 0.0 113.568 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.9 tp -76.92 129.27 35.94 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.502 1.121 . . . . 0.0 111.73 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.42 137.63 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.986 0.898 . . . . 0.0 113.146 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -101.52 130.78 47.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.303 1.441 . . . . 0.0 108.494 168.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -69.8 -25.41 63.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -74.99 -28.84 60.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -89.78 151.38 21.84 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.082 -1.011 . . . . 0.0 111.493 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -21.74 64.99 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-O 117.633 -1.648 . . . . 0.0 116.389 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -141.79 159.29 42.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.97 1.885 . . . . 0.0 113.168 -170.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.36 166.9 5.84 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.268 2.227 . . . . 0.0 115.12 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -74.3 120.27 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.393 1.477 . . . . 0.0 113.178 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.7 p -75.55 161.65 28.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.298 1.039 . . . . 0.0 113.161 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -157.19 172.67 18.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.786 1.234 . . . . 0.0 111.878 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.68 -121.28 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.264 1.026 . . . . 0.0 113.341 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -75.44 144.03 42.35 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.652 -1.28 . . . . 0.0 112.828 -171.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.12 136.14 56.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.094 -1.004 . . . . 0.0 111.77 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.09 -15.16 58.77 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.43 1.491 . . . . 0.0 115.023 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -66.49 127.99 34.48 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.711 1.756 . . . . 0.0 109.311 169.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -135.97 -18.0 1.61 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 -168.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.24 -34.19 71.91 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 122.052 2.206 . . . . 0.0 114.374 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -71.31 -55.28 8.35 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.03 -1.043 . . . . 0.0 110.954 170.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.2 m -60.39 -39.78 88.53 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.69 -51.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.154 0.982 . . . . 0.0 110.556 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -66.65 -45.24 79.65 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.109 0.964 . . . . 0.0 111.611 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.34 -39.64 95.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.086 0.857 . . . . 0.0 112.892 173.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.21 -46.73 82.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.704 1.138 . . . . 0.0 111.758 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -77.17 -6.23 52.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -101.08 -23.82 14.41 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.42 1.088 . . . . 0.0 112.81 169.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -76.22 -47.08 25.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.523 1.129 . . . . 0.0 111.612 171.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.48 -168.8 1.5 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.142 1.777 . . . . 0.0 110.164 174.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.63 144.56 13.61 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.98 -14.91 61.52 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 m -69.83 -9.78 56.0 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 160.25 16.9 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -147.61 -174.41 4.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.558 1.943 . . . . 0.0 110.075 171.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.7 -168.05 39.95 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 120.199 -1.563 . . . . 0.0 116.673 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -159.42 169.5 23.8 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.222 1.809 . . . . 0.0 112.177 172.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.01 138.21 32.14 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.222 -0.924 . . . . 0.0 111.347 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -151.98 133.24 14.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.531 1.132 . . . . 0.0 110.09 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.77 45.51 11.4 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.495 1.118 . . . . 0.0 113.67 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.64 22.21 12.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.88 27.29 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.98 -1.075 . . . . 0.0 112.539 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.7 127.39 32.23 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.696 -0.628 . . . . 0.0 112.306 -172.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -110.35 107.71 17.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.101 1.76 . . . . 0.0 109.062 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.4 m -73.65 151.78 40.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.348 1.059 . . . . 0.0 111.097 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -134.24 163.53 29.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.162 1.385 . . . . 0.0 111.021 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.9 m80 61.97 20.54 11.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.952 1.301 . . . . 0.0 113.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.35 158.58 35.69 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.107 1.363 . . . . 0.0 112.409 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.15 160.76 4.68 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.557 1.543 . . . . 0.0 114.207 172.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -58.54 -21.3 52.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.241 1.416 . . . . 0.0 113.184 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -77.2 -5.47 49.33 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.51 143.99 55.88 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.053 0.842 . . . . 0.0 111.853 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.17 140.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 126.254 1.822 . . . . 0.0 110.534 -172.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -108.3 -1.2 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.727 1.211 . . . . 0.0 114.258 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -67.96 141.76 94.75 Favored Pre-proline 0 CA--C 1.554 1.111 0 O-C-N 120.774 -1.204 . . . . 0.0 110.381 167.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -60.65 150.71 80.7 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.564 2.842 . . . . 0.0 114.509 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 141.56 92.13 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.806 1.242 . . . . 0.0 112.686 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -72.46 -16.61 27.41 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.028 2.486 . . . . 0.0 113.175 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -69.17 -67.9 0.44 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.886 1.674 . . . . 0.0 113.269 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.42 149.95 49.85 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.668 1.187 . . . . 0.0 112.892 -174.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? . . . . . 0 N--CA 1.479 1.006 0 C-N-CA 125.031 1.332 . . . . 0.0 111.687 173.43 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -120.76 141.33 50.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.324 1.05 . . . . 0.0 111.81 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.91 171.93 44.9 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 116.301 1.28 . . . . 0.0 116.301 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.72 131.16 45.37 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.235 2.214 . . . . 0.0 112.855 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tp -78.86 120.02 22.89 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.266 -0.896 . . . . 0.0 111.417 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 p -134.74 147.73 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.331 1.053 . . . . 0.0 111.596 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.18 117.47 7.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.41 1.084 . . . . 0.0 112.214 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -57.95 -25.62 61.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 114.038 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -88.36 -41.76 12.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.416 1.086 . . . . 0.0 113.217 -171.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.7 p -140.73 -1.95 1.4 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.93 10.16 79.31 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.137 1.615 . . . . 0.0 117.137 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -58.25 141.21 51.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.502 1.651 . . . . 0.0 113.069 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -81.89 156.68 24.68 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -108.19 99.75 9.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.24 1.016 . . . . 0.0 111.768 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -74.3 162.79 28.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.074 0.95 . . . . 0.0 113.063 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.2 t -156.56 163.59 39.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.396 1.878 . . . . 0.0 111.512 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 179.38 0.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.406 1.882 . . . . 0.0 114.642 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.1 157.03 2.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.697 1.599 . . . . 0.0 111.822 169.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.1 mt -50.28 160.52 0.37 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.959 2.104 . . . . 0.0 114.93 -171.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.24 -38.04 2.01 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 126.236 1.874 . . . . 0.0 115.912 174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -72.83 72.27 1.07 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.479 1.912 . . . . 0.0 111.72 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -90.06 -15.31 32.02 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -168.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -25.05 67.48 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -166.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -69.39 -45.33 69.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.842 0.746 . . . . 0.0 111.005 170.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.0 t -68.42 -33.29 73.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.001 0.92 . . . . 0.0 112.951 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.94 -46.98 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.176 1.353 . . . . 0.0 110.682 170.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -64.07 -45.87 86.82 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.863 0.865 . . . . 0.0 112.158 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.07 -41.81 98.55 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.566 1.076 . . . . 0.0 112.969 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.39 -48.16 80.95 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 111.312 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -80.09 -3.03 47.02 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -103.51 -30.83 10.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.873 1.269 . . . . 0.0 112.587 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -71.33 -51.11 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.272 1.829 . . . . 0.0 110.061 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -103.7 -172.27 2.08 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.814 1.246 . . . . 0.0 109.246 167.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.67 156.24 27.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.696 1.199 . . . . 0.0 114.145 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -54.27 -28.9 44.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -83.11 0.3 45.72 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.21 160.57 31.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.892 0.877 . . . . 0.0 111.946 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -149.46 157.2 43.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.395 1.078 . . . . 0.0 111.902 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.95 -178.37 35.79 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 -171.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -159.17 171.38 20.02 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.382 2.273 . . . . 0.0 111.089 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.75 147.26 27.89 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.131 -0.981 . . . . 0.0 113.269 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -148.31 134.19 19.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.051 1.341 . . . . 0.0 108.852 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.31 39.21 11.82 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.828 1.251 . . . . 0.0 114.018 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.252 77.5 m-85 64.58 24.79 13.09 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.406 1.882 . . . . 0.0 115.513 -177.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.72 151.86 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.431 1.092 . . . . 0.0 113.184 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.37 136.89 38.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.608 1.163 . . . . 0.0 113.291 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -121.8 136.32 54.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.934 2.494 . . . . 0.0 108.957 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -132.05 147.36 52.44 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.509 1.124 . . . . 0.0 111.434 -168.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 p -133.46 163.8 28.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.876 1.67 . . . . 0.0 112.791 -167.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 63.63 25.71 14.38 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.037 1.735 . . . . 0.0 112.629 -168.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.37 138.86 49.52 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.367 1.467 . . . . 0.0 111.304 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.11 25.06 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.56 1.171 . . . . 0.0 113.23 169.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 pm0 -61.51 -18.87 61.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.402 1.081 . . . . 0.0 113.655 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -81.6 5.64 17.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.061 1.345 . . . . 0.0 113.98 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.66 172.43 8.67 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.839 -1.163 . . . . 0.0 113.323 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -140.74 148.97 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.943 1.697 . . . . 0.0 110.619 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.42 156.01 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.022 1.729 . . . . 0.0 110.844 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.0 m95 58.43 177.36 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.343 0 C-N-CA 125.622 1.569 . . . . 0.0 113.146 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -57.66 143.76 94.33 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.71 2.273 . . . . 0.0 113.988 -173.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.7 122.71 69.04 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.265 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.73 -20.28 30.45 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.806 2.338 . . . . 0.0 113.199 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -52.19 -46.82 65.72 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 113.61 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -137.72 172.06 13.52 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.294 2.238 . . . . 0.0 110.708 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.626 1.17 . . . . 0.0 112.099 173.623 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.7 tttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.084 0.469 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.98 164.85 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.124 2.17 . . . . 0.0 111.464 -173.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.63 155.16 26.25 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.552 0.596 . . . . 0.0 113.333 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -79.46 158.31 27.32 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.037 -1.272 . . . . 0.0 111.2 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -71.89 47.96 0.15 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.101 0.96 . . . . 0.0 112.172 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -75.24 102.22 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.204 -1.56 . . . . 0.0 113.83 -169.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.82 100.72 11.73 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.921 1.289 . . . . 0.0 107.874 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -70.4 -1.07 9.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.395 1.478 . . . . 0.0 114.558 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -65.72 -21.63 66.54 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.806 1.242 . . . . 0.0 112.73 172.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -154.51 156.62 37.0 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.81 3.19 57.16 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.85 151.28 39.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.359 1.579 . . . . 0.0 113.193 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.26 152.04 24.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 110.843 168.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -117.1 75.48 0.98 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 123.27 1.509 . . . . 0.0 111.93 -169.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.2 p -68.27 157.14 36.21 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.946 2.098 . . . . 0.0 113.466 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 p -161.64 -174.01 4.02 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.467 1.507 . . . . 0.0 112.602 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.92 -176.16 1.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.628 1.971 . . . . 0.0 116.301 -169.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.07 157.6 9.96 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.891 1.276 . . . . 0.0 113.023 169.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.79 140.37 42.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.173 0.989 . . . . 0.0 112.254 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.98 -32.14 1.75 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.29 1.424 . . . . 0.0 114.853 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.73 33.43 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.936 -1.332 . . . . 0.0 112.286 171.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.34 30.63 7.06 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -166.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -55.67 -29.43 59.31 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -55.94 -43.69 77.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.759 0.823 . . . . 0.0 112.134 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.23 -35.91 80.55 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.142 -0.974 . . . . 0.0 111.63 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -66.2 -38.68 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.571 1.078 . . . . 0.0 111.326 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -69.84 -39.4 76.46 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.358 1.063 . . . . 0.0 113.809 173.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.68 -34.01 30.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 117.765 -1.112 . . . . 0.0 113.496 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.2 m -64.13 -38.29 90.53 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 121.092 1.769 . . . . 0.0 111.236 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -71.72 -4.81 29.61 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.19 -34.93 6.7 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.266 1.426 . . . . 0.0 112.548 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -68.94 -30.07 68.44 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.981 2.512 . . . . 0.0 112.786 175.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -122.82 -173.09 2.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.0 2.92 . . . . 0.0 108.151 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.47 155.16 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 169.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -56.3 -15.74 4.42 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.333 1.453 . . . . 0.0 114.774 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -75.71 -16.6 60.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.556 1.542 . . . . 0.0 114.69 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 164.47 16.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -169.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -125.17 169.36 12.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.593 2.757 . . . . 0.0 110.021 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.93 167.77 38.24 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 169.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -157.32 171.22 20.79 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.199 0.999 . . . . 0.0 113.448 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.3 m -84.43 59.4 5.4 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.192 0.997 . . . . 0.0 113.427 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -63.04 115.68 4.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.909 0.883 . . . . 0.0 109.999 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.9 49.24 17.14 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 63.47 27.37 15.12 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.9 149.45 32.26 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.823 -1.173 . . . . 0.0 113.134 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.48 111.48 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.926 0.869 . . . . 0.0 113.112 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -110.41 114.63 28.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.281 2.232 . . . . 0.0 108.898 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 m -87.47 141.94 28.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.51 1.124 . . . . 0.0 111.032 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -131.39 164.99 24.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.885 1.274 . . . . 0.0 112.26 -169.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m80 59.86 48.96 8.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.614 1.565 . . . . 0.0 112.457 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.7 mt -105.68 163.04 13.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.978 1.311 . . . . 0.0 113.69 -170.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.64 158.74 11.94 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 169.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.26 -23.75 38.35 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.199 0.999 . . . . 0.0 113.507 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -73.34 -3.12 25.17 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.74 159.48 16.26 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.01 152.47 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.761 1.624 . . . . 0.0 112.165 -175.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.96 160.21 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.592 1.557 . . . . 0.0 114.017 -170.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.257 4.7 m0 57.99 163.53 0.08 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 130.232 3.413 . . . . 0.0 118.175 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -57.74 144.35 93.43 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.925 3.083 . . . . 0.0 113.023 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.28 122.19 41.78 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 123.224 0.609 . . . . 0.0 112.305 -168.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.56 -20.33 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.24 1.96 . . . . 0.0 113.464 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -81.75 -26.8 34.2 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -170.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -115.7 155.04 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.285 1.834 . . . . 0.0 112.07 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 C-N-CA 125.501 1.521 . . . . 0.0 110.687 169.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.416 ' HE2' HG11 ' A' ' 57' ' ' VAL . 70.5 tttt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.98 154.28 21.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.176 0.898 . . . . 0.0 109.466 168.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.13 165.17 30.7 Favored Glycine 0 N--CA 1.469 0.881 0 N-CA-C 117.367 1.707 . . . . 0.0 117.367 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -82.64 172.98 12.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.452 1.501 . . . . 0.0 112.515 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -139.17 107.63 5.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.523 1.129 . . . . 0.0 110.227 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.53 147.57 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.696 1.198 . . . . 0.0 112.118 -172.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -65.0 144.78 57.07 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.072 1.349 . . . . 0.0 111.916 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -81.39 -26.45 35.44 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.388 -1.445 . . . . 0.0 113.14 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.34 -21.88 26.99 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -156.06 165.25 36.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.171 1.788 . . . . 0.0 109.909 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.11 12.05 3.39 Favored Glycine 0 CA--C 1.542 1.754 0 O-C-N 120.638 -1.288 . . . . 0.0 116.162 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.66 129.17 37.24 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.134 1.467 . . . . 0.0 114.742 -170.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 144.59 30.28 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.652 1.581 . . . . 0.0 111.118 169.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.92 116.71 16.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.805 -0.56 . . . . 0.0 111.742 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -76.23 167.92 20.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.483 0.713 . . . . 0.0 112.611 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 t -144.96 138.15 26.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.952 2.101 . . . . 0.0 110.903 177.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.58 -27.08 20.47 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -143.14 132.67 23.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.539 1.536 . . . . 0.0 112.504 176.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.5 mt -75.02 165.63 24.95 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.094 0.958 . . . . 0.0 111.498 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.54 -42.61 2.64 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.662 1.125 . . . . 0.0 114.148 175.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 84.77 1.27 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.037 1.335 . . . . 0.0 110.029 169.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -70.2 -18.53 63.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.375 -1.453 . . . . 0.0 114.386 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -55.11 -39.08 68.96 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -56.67 -51.12 69.97 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.695 0.68 . . . . 0.0 111.677 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.45 -24.79 50.25 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.258 -0.877 . . . . 0.0 113.366 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.7 t -60.8 -47.74 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.06 1.3 . . . . 0.0 110.381 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -58.01 -49.87 75.37 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.925 0.89 . . . . 0.0 112.454 175.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -67.86 -32.2 72.55 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.259 -0.901 . . . . 0.0 112.703 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 t -73.49 -44.74 57.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 120.336 1.426 . . . . 0.0 112.414 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -63.95 -21.66 66.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.64 -36.97 17.16 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.515 0.726 . . . . 0.0 112.299 169.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -59.82 -51.0 71.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.907 1.283 . . . . 0.0 112.422 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.44 -90.75 0.37 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.574 1.55 . . . . 0.0 110.423 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -145.99 153.34 40.66 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.176 1.39 . . . . 0.0 111.343 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -30.11 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -85.27 6.35 26.53 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.362 1.465 . . . . 0.0 114.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.99 165.8 22.68 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -132.41 165.84 23.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.979 1.711 . . . . 0.0 111.885 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.81 -176.91 47.04 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 121.493 -0.755 . . . . 0.0 114.425 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -159.96 178.85 9.31 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.068 1.747 . . . . 0.0 112.139 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.4 m -93.32 140.1 29.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.436 0.694 . . . . 0.0 110.907 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -148.51 136.96 21.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.423 1.889 . . . . 0.0 109.038 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.75 44.27 27.85 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.327 1.051 . . . . 0.0 112.772 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 55.18 29.23 12.3 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.295 1.438 . . . . 0.0 114.494 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.46 163.57 33.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.113 1.365 . . . . 0.0 110.796 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m -71.65 161.33 31.16 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 122.209 1.004 . . . . 0.0 113.216 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -151.83 133.0 14.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.319 2.248 . . . . 0.0 108.198 171.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.6 m -101.73 147.96 25.84 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.45 1.1 . . . . 0.0 110.978 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.9 p -133.3 157.63 44.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.846 0.832 . . . . 0.0 112.682 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.81 26.49 13.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.965 1.306 . . . . 0.0 113.46 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.8 165.19 25.65 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.46 -1.4 . . . . 0.0 112.162 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.42 169.83 5.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.826 1.651 . . . . 0.0 114.617 169.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.99 -20.31 65.17 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.226 -0.921 . . . . 0.0 113.381 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -77.88 5.87 8.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.72 150.09 49.59 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -175.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.67 133.44 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG11 ' HE2' ' A' ' 1' ' ' LYS . 28.8 m -134.12 139.34 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.023 0.929 . . . . 0.0 110.927 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 60.28 159.88 0.11 Allowed Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 126.606 1.962 . . . . 0.0 116.177 -175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.71 164.39 21.48 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.142 3.228 . . . . 0.0 114.877 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.52 124.17 68.27 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 123.931 0.893 . . . . 0.0 111.807 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -85.32 -20.76 3.2 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.564 2.843 . . . . 0.0 114.527 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -96.45 -67.48 0.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -67.46 139.68 57.06 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.128 -0.983 . . . . 0.0 111.111 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 . . . . . 0 N--CA 1.476 0.847 0 C-N-CA 125.174 1.389 . . . . 0.0 112.319 175.789 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.3 tttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -99.97 146.89 26.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 172.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.25 158.34 30.69 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -71.51 158.93 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.827 1.651 . . . . 0.0 112.531 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 tp -67.71 78.22 0.2 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.773 1.229 . . . . 0.0 111.506 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -53.12 151.82 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.787 2.035 . . . . 0.0 113.557 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -152.21 150.66 30.07 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.324 1.05 . . . . 0.0 110.985 171.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -88.2 -25.93 22.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.893 1.277 . . . . 0.0 112.271 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -72.08 -35.66 69.31 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -153.6 152.7 31.17 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.249 1.02 . . . . 0.0 113.124 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.35 -4.21 89.6 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-O 118.45 -1.195 . . . . 0.0 115.128 170.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -77.33 145.88 37.09 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.07 1.935 . . . . 0.0 113.28 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -69.43 124.91 25.12 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.424 1.889 . . . . 0.0 114.892 -174.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -80.18 98.8 7.49 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.851 1.26 . . . . 0.0 111.561 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 p -78.39 157.86 28.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.743 2.017 . . . . 0.0 112.974 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.1 p -154.77 -141.31 0.1 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.195 0.998 . . . . 0.0 113.202 177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 179.24 1.63 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.357 2.663 . . . . 0.0 114.28 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.88 164.67 23.24 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.3 1.048 . . . . 0.0 112.22 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.3 129.99 44.77 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.851 0.834 . . . . 0.0 112.185 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 -18.11 35.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.952 1.263 . . . . 0.0 115.126 -175.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -70.54 139.53 51.56 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.613 1.707 . . . . 0.0 111.651 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -133.1 -21.65 2.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.234 1.813 . . . . 0.0 115.248 -166.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -56.07 -39.73 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -170.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -76.14 -48.96 18.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.858 1.263 . . . . 0.0 112.905 171.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -63.35 -34.5 77.84 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.599 -0.688 . . . . 0.0 112.807 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.25 -43.48 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.316 -0.865 . . . . 0.0 112.003 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -63.48 -36.2 82.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.869 0.868 . . . . 0.0 112.884 -177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.25 -44.83 58.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.842 0.457 . . . . 0.0 112.006 170.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.19 -44.02 97.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.95 1.3 . . . . 0.0 112.003 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.33 -13.71 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.359 1.464 . . . . 0.0 114.897 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -97.69 -33.28 11.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.447 1.099 . . . . 0.0 112.287 171.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -77.32 -45.05 27.43 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -93.02 -88.52 0.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.997 0.919 . . . . 0.0 110.277 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -157.63 164.41 37.26 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.416 1.086 . . . . 0.0 112.097 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.49 -30.9 68.88 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -168.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.1 p -82.43 2.81 30.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 173.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.85 154.09 42.14 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.595 1.089 . . . . 0.0 113.48 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -141.78 152.03 43.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.62 1.968 . . . . 0.0 111.079 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.11 172.79 42.88 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 121.188 -0.945 . . . . 0.0 114.8 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -149.03 168.74 22.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.957 1.303 . . . . 0.0 113.228 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.05 64.35 6.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.499 1.12 . . . . 0.0 112.764 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -67.39 126.95 30.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.946 1.298 . . . . 0.0 110.274 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.39 36.9 14.16 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.879 0.872 . . . . 0.0 113.289 -169.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 64.96 10.78 6.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 116.133 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.77 143.67 50.96 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.374 1.069 . . . . 0.0 112.081 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -66.88 126.96 30.73 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.734 0.778 . . . . 0.0 112.502 -169.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -138.9 116.11 11.07 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.159 1.783 . . . . 0.0 110.307 -168.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.0 m -89.02 154.26 20.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.849 2.06 . . . . 0.0 112.665 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -124.21 161.26 26.1 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.708 2.003 . . . . 0.0 112.349 -168.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 55.76 21.05 4.41 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.532 1.933 . . . . 0.0 115.697 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.53 164.07 26.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.468 1.507 . . . . 0.0 114.952 -170.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.03 168.03 7.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.757 1.623 . . . . 0.0 114.321 168.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -54.69 -24.48 22.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.633 1.973 . . . . 0.0 114.352 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -76.43 2.74 12.8 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.088 1.355 . . . . 0.0 114.564 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.13 157.45 33.63 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.06 150.15 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 126.515 1.926 . . . . 0.0 110.27 -172.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 m -115.0 177.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.747 1.219 . . . . 0.0 112.961 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -50.89 161.22 0.7 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.898 2.079 . . . . 0.0 113.6 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.315 0.1 OUTLIER 41.6 73.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.834 2.356 . . . . 0.0 114.592 -162.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 145.22 99.09 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 126.805 2.042 . . . . 0.0 111.902 -169.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -64.85 -21.65 64.12 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.264 1.976 . . . . 0.0 112.606 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -66.0 -49.68 66.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.374 1.07 . . . . 0.0 113.509 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.32 153.38 25.37 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.593 1.157 . . . . 0.0 112.949 -172.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 . . . . . 0 N--CA 1.484 1.253 0 C-N-CA 127.334 2.254 . . . . 0.0 112.365 177.409 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.6 tttt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -90.32 173.19 8.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.851 1.261 . . . . 0.0 111.125 169.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.82 160.89 34.63 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 120.855 -1.153 . . . . 0.0 115.523 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -79.48 160.8 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.551 1.141 . . . . 0.0 111.674 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 tp -98.61 113.89 26.12 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.395 0.678 . . . . 0.0 111.079 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -153.22 147.23 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 110.509 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -87.99 132.33 34.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.063 1.345 . . . . 0.0 110.761 170.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -56.16 -21.73 24.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.22 -34.01 75.45 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -161.18 138.02 8.68 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.8 1.182 . . . . 0.0 113.891 -169.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.46 13.16 12.0 Favored Glycine 0 CA--C 1.534 1.271 0 N-CA-C 115.853 1.101 . . . . 0.0 115.853 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 129.93 43.09 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.248 1.524 . . . . 0.0 110.096 169.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -71.82 130.0 40.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.787 1.235 . . . . 0.0 112.033 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -72.54 105.39 4.18 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 p -73.31 160.21 32.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 112.475 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.3 p -141.2 134.0 28.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.225 1.01 . . . . 0.0 110.373 172.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.73 71.68 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -168.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -150.42 139.47 21.06 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.414 1.006 . . . . 0.0 113.082 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 mt -66.68 142.63 57.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.871 1.268 . . . . 0.0 109.432 170.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.57 4.95 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.466 1.031 . . . . 0.0 115.333 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.71 51.14 1.44 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.524 1.662 . . . . 0.0 109.601 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -71.83 -17.01 62.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.405 -1.434 . . . . 0.0 114.64 -169.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.83 -26.79 48.29 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.36 1.064 . . . . 0.0 112.822 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.9 -55.11 16.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.051 0.94 . . . . 0.0 111.815 169.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.8 m -66.14 -29.65 69.98 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.187 -0.946 . . . . 0.0 113.409 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.91 -48.83 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.837 1.199 . . . . 0.0 110.747 172.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -60.98 -52.02 66.77 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -69.68 -28.33 65.77 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.158 -0.964 . . . . 0.0 112.885 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.2 t -70.12 -47.68 60.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.187 0.995 . . . . 0.0 112.002 172.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -67.15 -24.96 65.95 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.64 -19.95 47.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -84.32 -62.02 1.66 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.645 1.178 . . . . 0.0 112.333 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.44 -83.77 0.1 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.408 0.683 . . . . 0.0 111.364 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -155.94 156.22 34.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.563 1.145 . . . . 0.0 111.282 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -54.61 -31.0 56.34 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 m -75.46 -3.42 33.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.52 19.16 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -141.35 167.95 20.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.656 2.382 . . . . 0.0 112.238 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 177.83 46.46 Favored Glycine 0 CA--C 1.536 1.38 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -146.46 167.11 24.46 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.313 1.445 . . . . 0.0 112.84 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.7 t -88.38 130.02 35.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.281 1.032 . . . . 0.0 110.218 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -151.22 128.65 11.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.651 1.18 . . . . 0.0 110.783 -172.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.04 29.69 4.8 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -170.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.256 67.5 m-85 61.68 28.87 17.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.908 1.683 . . . . 0.0 114.913 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.02 149.34 45.97 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.231 1.812 . . . . 0.0 110.287 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.64 141.73 42.75 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.249 -1.532 . . . . 0.0 113.309 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -130.69 121.19 25.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.36 1.864 . . . . 0.0 109.763 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.5 m -86.88 147.06 25.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.507 1.523 . . . . 0.0 112.297 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 p -127.1 158.09 37.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.788 1.235 . . . . 0.0 112.819 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.7 m80 58.14 32.83 22.51 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.276 1.43 . . . . 0.0 113.544 175.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.48 170.54 15.13 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.015 -1.053 . . . . 0.0 111.671 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.5 167.92 1.78 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.371 1.468 . . . . 0.0 113.484 167.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.17 -24.44 59.0 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.542 -1.349 . . . . 0.0 113.18 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -77.41 13.27 1.25 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.131 1.372 . . . . 0.0 114.289 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.52 161.98 16.28 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.714 1.206 . . . . 0.0 113.431 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.5 t -127.93 137.09 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.995 1.718 . . . . 0.0 110.37 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.2 m -94.76 -157.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.489 1.116 . . . . 0.0 112.271 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -53.63 154.46 6.67 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 125.837 1.655 . . . . 0.0 113.972 -175.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.25 154.06 15.28 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.533 2.822 . . . . 0.0 115.289 -172.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.82 137.31 54.26 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.674 171.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -60.78 -22.01 72.07 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.245 2.63 . . . . 0.0 113.535 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.4 -37.79 84.73 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.488 1.515 . . . . 0.0 113.68 171.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -79.83 57.93 2.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.262 1.825 . . . . 0.0 112.511 -174.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 . . . . . 0 N--CA 1.478 0.935 0 C-N-CA 125.802 1.641 . . . . 0.0 112.426 -175.179 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.491 0.186 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -137.0 151.62 49.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.817 1.647 . . . . 0.0 112.327 -168.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.67 168.74 41.52 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 117.57 1.788 . . . . 0.0 117.57 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.11 131.15 43.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.6 1.96 . . . . 0.0 113.12 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.2 tp -83.16 128.11 34.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.81 150.15 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.383 1.873 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -72.47 151.94 42.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.852 0.861 . . . . 0.0 112.368 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.01 -8.55 58.32 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -171.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -129.8 -1.96 4.75 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t -158.8 142.44 15.11 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.752 1.221 . . . . 0.0 109.338 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 12.59 1.25 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 116.417 1.327 . . . . 0.0 116.417 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.5 m -70.4 118.66 13.49 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.092 1.446 . . . . 0.0 113.031 -176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -57.63 149.06 22.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.997 2.519 . . . . 0.0 114.432 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -87.54 105.42 17.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.479 -0.763 . . . . 0.0 110.126 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.7 p -73.16 148.42 43.86 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.006 1.722 . . . . 0.0 114.389 -172.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -125.54 153.17 44.03 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.797 1.639 . . . . 0.0 110.467 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.37 -26.82 13.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.003 1.321 . . . . 0.0 113.708 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -143.26 142.5 31.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.161 2.585 . . . . 0.0 110.037 -174.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -91.06 148.46 22.37 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 0.0 112.632 -169.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 -2.21 48.82 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 115.155 0.822 . . . . 0.0 115.155 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -72.01 158.23 36.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.849 1.66 . . . . 0.0 112.159 169.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -143.69 -28.52 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.31 -39.55 67.1 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.979 1.718 . . . . 0.0 113.086 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -68.88 -54.93 12.83 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.775 1.23 . . . . 0.0 112.779 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.83 -33.86 66.44 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -169.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.58 -46.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.391 0.996 . . . . 0.0 111.044 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -59.5 -54.59 44.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.163 0.985 . . . . 0.0 112.26 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -67.36 -28.67 68.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 112.953 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.05 -46.82 55.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.252 0.621 . . . . 0.0 112.371 172.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -68.27 -23.36 64.76 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.108 -0.995 . . . . 0.0 113.193 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.35 -25.35 46.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.912 0.885 . . . . 0.0 113.133 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -75.46 -49.33 19.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.103 0.865 . . . . 0.0 112.591 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.39 -69.72 0.83 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -170.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -169.69 158.58 7.66 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.793 1.237 . . . . 0.0 111.401 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -30.6 14.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.682 1.993 . . . . 0.0 115.581 -177.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -89.74 4.47 49.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 114.406 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.52 150.55 25.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.668 0.787 . . . . 0.0 110.883 170.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -135.59 175.51 9.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.811 1.244 . . . . 0.0 110.398 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.66 172.2 45.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.202 -0.936 . . . . 0.0 114.477 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -148.0 166.97 26.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.917 1.287 . . . . 0.0 112.475 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.1 m -85.07 126.98 34.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.64 0.776 . . . . 0.0 112.875 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -148.97 136.96 20.72 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.588 2.355 . . . . 0.0 109.744 -174.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.83 33.99 9.52 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.261 98.3 m-85 55.48 33.43 20.98 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.55 1.94 . . . . 0.0 114.654 -173.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.68 166.83 23.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.53 1.932 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 t -84.99 132.54 34.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.501 1.12 . . . . 0.0 111.846 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -123.52 114.06 19.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.48 1.912 . . . . 0.0 109.651 -175.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.0 m -80.79 153.28 27.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.192 1.397 . . . . 0.0 112.977 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.1 p -134.48 168.96 17.99 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.887 2.075 . . . . 0.0 110.98 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m80 64.38 24.21 13.17 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.02 1.328 . . . . 0.0 114.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.73 136.05 40.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.374 1.47 . . . . 0.0 114.1 -173.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 162.58 26.98 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.939 0.896 . . . . 0.0 111.261 166.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -58.45 -25.69 62.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.145 -0.972 . . . . 0.0 112.382 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -76.05 -0.19 20.9 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.955 1.302 . . . . 0.0 114.315 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.72 173.15 6.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.706 1.202 . . . . 0.0 113.642 176.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -114.27 116.85 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.898 1.279 . . . . 0.0 108.871 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.32 -28.05 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -170.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -75.21 164.67 59.66 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.215 0.606 . . . . 0.0 111.108 168.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.86 151.11 79.71 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.763 2.309 . . . . 0.0 111.995 172.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 tp -72.48 117.69 61.14 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.168 0.895 . . . . 0.0 111.268 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -77.94 -16.79 14.14 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.613 2.209 . . . . 0.0 112.56 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.94 -57.07 8.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.306 1.043 . . . . 0.0 112.3 -171.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -148.82 144.01 26.69 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.99 1.316 . . . . 0.0 112.847 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 124.807 1.243 . . . . 0.0 111.128 172.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.1 tttt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.83 148.7 39.63 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.649 1.58 . . . . 0.0 111.253 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.17 169.94 41.74 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.16 135.57 33.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.444 1.098 . . . . 0.0 111.169 -175.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -83.31 110.55 18.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.978 0.894 . . . . 0.0 111.483 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.94 156.46 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 126.192 1.797 . . . . 0.0 109.928 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.47 151.14 45.45 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -176.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -69.49 -26.76 64.71 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.12 -0.988 . . . . 0.0 113.177 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -97.58 -19.81 18.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -158.31 160.45 37.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.628 1.171 . . . . 0.0 112.108 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.23 11.42 8.57 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.331 -1.481 . . . . 0.0 116.088 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.47 116.83 7.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.682 1.193 . . . . 0.0 112.681 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -63.83 150.61 44.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.976 1.71 . . . . 0.0 112.395 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -104.58 106.2 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.999 0.92 . . . . 0.0 110.732 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.5 p -78.69 158.39 28.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.581 1.152 . . . . 0.0 113.872 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -112.65 139.38 48.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.874 1.67 . . . . 0.0 111.082 173.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.04 63.69 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.249 1.019 . . . . 0.0 112.475 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -148.55 148.12 29.82 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.88 1.272 . . . . 0.0 112.555 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.73 158.26 36.44 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.748 0.785 . . . . 0.0 110.65 168.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -15.91 9.41 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.42 127.36 31.6 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.804 1.802 . . . . 0.0 111.02 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -93.33 -68.46 0.8 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.018 0.927 . . . . 0.0 110.735 171.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -65.31 -20.96 66.64 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -58.36 -45.59 87.92 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.637 1.175 . . . . 0.0 111.273 169.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.2 t -81.58 -38.54 25.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.275 1.03 . . . . 0.0 111.457 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.94 -39.91 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.416 1.007 . . . . 0.0 110.93 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -56.22 -43.2 78.33 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.307 1.043 . . . . 0.0 112.382 173.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.85 -47.38 62.9 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.235 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.0 -47.13 87.1 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.708 0.803 . . . . 0.0 111.226 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -2.04 18.11 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.309 1.444 . . . . 0.0 114.457 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.98 -33.49 5.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.685 1.594 . . . . 0.0 113.299 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -75.2 -35.65 61.5 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.551 1.54 . . . . 0.0 112.245 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.05 -173.81 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.488 2.315 . . . . 0.0 109.595 174.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.78 148.64 2.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 170.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.87 -19.76 65.32 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.783 -1.198 . . . . 0.0 113.531 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -71.65 -3.99 24.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.841 1.256 . . . . 0.0 114.266 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.26 152.93 44.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.693 1.133 . . . . 0.0 113.628 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -131.03 -178.07 4.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.729 1.612 . . . . 0.0 110.819 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.46 -176.27 42.29 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-N 119.998 1.272 . . . . 0.0 116.162 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -163.08 171.45 16.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.826 2.05 . . . . 0.0 112.372 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.23 124.34 33.21 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.946 -1.096 . . . . 0.0 113.205 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.84 143.47 29.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.852 2.461 . . . . 0.0 108.941 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.84 34.21 21.5 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 120.021 1.282 . . . . 0.0 113.3 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 49.79 33.61 6.56 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.513 1.925 . . . . 0.0 114.177 -170.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.23 160.71 41.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.16 1.384 . . . . 0.0 112.082 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.35 115.2 14.75 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.432 -0.792 . . . . 0.0 112.216 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -99.92 106.14 17.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.878 2.071 . . . . 0.0 109.382 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.76 147.06 27.82 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.732 0.777 . . . . 0.0 111.683 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -135.69 169.73 17.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.914 1.685 . . . . 0.0 111.233 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 m80 64.08 22.77 13.02 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.325 1.45 . . . . 0.0 113.949 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 mt -83.13 166.02 19.02 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.914 1.685 . . . . 0.0 113.635 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -60.54 163.17 5.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.036 1.734 . . . . 0.0 113.533 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -61.82 -14.37 32.64 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -91.76 5.76 48.57 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 157.91 33.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 t -126.66 146.14 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.22 1.408 . . . . 0.0 112.782 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -80.47 -154.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.339 1.456 . . . . 0.0 113.177 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -62.04 140.81 95.87 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.79 1.636 . . . . 0.0 115.284 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -67.0 161.49 42.38 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.468 2.779 . . . . 0.0 111.422 168.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.86 152.06 96.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.207 -0.933 . . . . 0.0 112.311 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -60.69 -17.79 51.58 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.288 2.658 . . . . 0.0 113.069 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -54.4 -33.25 58.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.378 1.871 . . . . 0.0 113.058 168.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -80.86 71.66 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.902 1.281 . . . . 0.0 111.87 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 . . . . . 0 N--CA 1.484 1.275 0 C-N-CA 127.057 2.143 . . . . 0.0 115.556 -175.38 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 73.9 tttt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -130.0 163.8 25.67 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.788 1.235 . . . . 0.0 112.012 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.05 140.11 5.78 Favored Glycine 0 CA--C 1.534 1.28 0 N-CA-C 114.755 0.662 . . . . 0.0 114.755 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -58.54 138.0 57.07 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.396 1.479 . . . . 0.0 112.555 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.5 tp -79.38 120.82 24.35 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.093 -1.004 . . . . 0.0 111.194 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.95 147.94 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.63 1.572 . . . . 0.0 110.563 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -80.87 142.26 33.79 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -70.89 -10.35 59.46 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -176.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -135.74 -35.24 0.8 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.281 1.032 . . . . 0.0 111.294 -174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -81.67 -24.37 36.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.204 1.001 . . . . 0.0 113.027 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.34 11.51 56.25 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.33 154.36 20.38 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.052 1.426 . . . . 0.0 114.202 -169.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.99 161.58 8.17 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.213 2.205 . . . . 0.0 114.066 172.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -124.93 101.71 7.19 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.056 1.342 . . . . 0.0 110.279 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.2 p -81.57 149.01 28.84 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.6 p -156.63 173.9 16.26 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.229 1.412 . . . . 0.0 112.703 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.62 159.7 21.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.211 1.404 . . . . 0.0 112.8 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -53.66 123.67 12.9 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -168.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.8 mt 45.98 -110.11 0.24 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.434 1.893 . . . . 0.0 114.425 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.22 -5.96 30.53 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.966 2.698 . . . . 0.0 116.233 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -78.61 41.2 0.4 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 120.265 2.033 . . . . 0.0 110.827 169.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -72.63 13.89 0.31 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 129.851 3.261 . . . . 0.0 117.165 -168.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -58.84 -34.57 71.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -81.14 -39.09 26.12 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.445 1.098 . . . . 0.0 112.094 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.5 t -63.58 -47.16 82.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.189 0.996 . . . . 0.0 113.042 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -59.89 -37.76 73.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 O-C-N 121.287 -0.883 . . . . 0.0 111.557 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -66.3 -26.03 67.13 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.954 1.302 . . . . 0.0 114.21 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -77.1 -50.36 13.21 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.626 1.103 . . . . 0.0 110.756 167.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 71.6 m -57.55 -42.91 83.9 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.636 -0.665 . . . . 0.0 112.225 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -77.96 -6.92 55.97 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.6 mt -108.18 -23.37 11.98 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.242 1.017 . . . . 0.0 113.417 171.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -71.11 -49.62 42.33 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 125.762 1.625 . . . . 0.0 111.505 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -104.62 -167.52 1.36 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.207 1.803 . . . . 0.0 110.351 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.38 150.99 3.2 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.783 1.233 . . . . 0.0 114.064 167.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.21 -16.6 54.31 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -78.38 0.56 25.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.936 1.695 . . . . 0.0 114.519 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.31 165.12 16.98 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.382 0.992 . . . . 0.0 113.571 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -141.24 -176.56 4.75 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.033 1.333 . . . . 0.0 111.138 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.94 170.42 37.98 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 121.115 -0.991 . . . . 0.0 114.906 174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -145.36 168.67 19.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.337 1.455 . . . . 0.0 112.915 173.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -97.77 67.43 1.99 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 112.204 -169.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.55 122.03 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.201 1.401 . . . . 0.0 110.63 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.54 46.05 23.74 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.276 1.03 . . . . 0.0 113.197 -172.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 60.18 19.81 9.16 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.142 1.777 . . . . 0.0 114.864 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.62 145.64 48.81 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.507 1.123 . . . . 0.0 112.36 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -70.16 130.79 43.03 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.068 0.937 . . . . 0.0 112.852 -169.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -132.0 109.31 9.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.977 2.511 . . . . 0.0 107.989 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -80.26 143.65 33.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.557 0.743 . . . . 0.0 112.014 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.4 p -138.72 171.42 14.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.8 1.64 . . . . 0.0 111.89 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 46.2 m80 59.18 34.18 23.07 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.374 1.07 . . . . 0.0 112.603 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.4 mt -92.56 151.8 19.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.272 1.429 . . . . 0.0 113.057 -173.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.09 171.25 11.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.754 2.422 . . . . 0.0 114.498 169.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.08 -26.8 61.03 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.186 0.995 . . . . 0.0 113.229 172.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -75.35 -0.97 21.61 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.7 140.89 34.06 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.047 1.294 . . . . 0.0 110.153 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.6 -63.25 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -169.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.28 15.6 t 61.62 -102.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 126.9 2.08 . . . . 0.0 114.689 -178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.8 m-90 -57.13 -32.43 13.33 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -64.52 4.77 0.53 Allowed 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.677 2.918 . . . . 0.0 117.139 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.52 153.09 62.93 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.941 1.297 . . . . 0.0 112.097 169.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.51 -21.92 11.15 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.468 2.778 . . . . 0.0 115.518 -171.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -131.65 -63.63 0.82 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 120.253 1.388 . . . . 0.0 112.906 -174.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.358 0.0 OUTLIER 40.31 28.74 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 119.538 3.162 . . . . 0.0 119.538 177.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -92.18 137.01 32.72 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.875 1.27 . . . . 0.0 110.15 169.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.6 t -62.98 111.44 2.16 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -75.02 156.7 35.92 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.63 1.172 . . . . 0.0 110.832 170.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.659 0 O-C-N 120.608 -1.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.9 tttt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 119.545 -0.264 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -87.0 171.19 10.94 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.181 0.992 . . . . 0.0 112.058 170.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.38 -179.21 44.85 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.173 0.892 . . . . 0.0 114.377 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -120.76 129.73 53.73 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.035 -1.273 . . . . 0.0 110.792 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.8 tp -70.4 117.36 11.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 118.578 0.626 . . . . 0.0 111.69 -172.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 p -155.04 145.78 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 126.634 1.973 . . . . 0.0 109.356 175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -78.81 110.88 14.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.339 -0.851 . . . . 0.0 109.818 173.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -59.47 -26.38 65.19 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -79.46 -44.09 22.0 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.057 -1.027 . . . . 0.0 111.769 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 p -144.5 104.34 4.05 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.558 1.943 . . . . 0.0 108.076 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.76 58.29 0.51 Allowed Glycine 0 N--CA 1.468 0.822 0 C-N-CA 126.859 2.171 . . . . 0.0 117.9 -166.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 144.84 56.43 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.031 0.915 . . . . 0.0 112.18 170.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -73.3 146.65 45.15 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.499 1.119 . . . . 0.0 112.546 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -125.27 89.1 2.99 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.435 1.494 . . . . 0.0 108.94 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 p -76.0 166.11 23.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.631 1.972 . . . . 0.0 114.228 -168.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -127.19 142.09 51.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.294 1.438 . . . . 0.0 110.166 168.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.23 -36.51 61.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.54 1.136 . . . . 0.0 112.467 176.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -151.77 168.08 26.19 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.485 1.514 . . . . 0.0 112.196 -175.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.8 158.33 32.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.473 -0.767 . . . . 0.0 111.421 169.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.85 -2.61 54.29 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 116.584 1.393 . . . . 0.0 116.584 171.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.93 56.23 3.65 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.802 1.801 . . . . 0.0 110.448 169.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -60.89 -33.0 72.44 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.934 0.894 . . . . 0.0 111.766 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.01 -39.93 56.95 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.511 1.925 . . . . 0.0 113.826 175.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.19 -48.04 74.82 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.559 -0.713 . . . . 0.0 111.935 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.5 t -70.25 -33.45 71.63 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.917 0.887 . . . . 0.0 113.027 -177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.69 -49.83 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.818 0.847 . . . . 0.0 110.084 171.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.3 mtm-85 -62.1 -49.01 77.62 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.139 0.576 . . . . 0.0 112.266 174.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -60.27 -40.77 91.55 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.891 1.223 . . . . 0.0 113.649 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.0 t -68.58 -47.9 65.59 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.85 0.75 . . . . 0.0 111.325 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -71.3 -22.89 61.89 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.5 mt -80.63 -16.26 54.52 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 170.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -91.69 -33.81 14.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.178 0.991 . . . . 0.0 113.548 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -115.15 -76.83 0.57 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.931 0.892 . . . . 0.0 113.226 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.53 152.45 23.67 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.691 1.597 . . . . 0.0 110.897 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.8 pm0 -62.4 -25.95 68.21 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -168.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.1 m -74.3 -9.46 58.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.48 158.9 32.79 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -135.68 177.85 7.5 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.959 2.104 . . . . 0.0 110.831 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.65 -175.91 47.66 Favored Glycine 0 CA--C 1.534 1.236 0 N-CA-C 114.951 0.741 . . . . 0.0 114.951 173.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.71 161.48 42.51 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.854 1.662 . . . . 0.0 112.426 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.7 m -83.1 132.29 35.11 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.321 -0.862 . . . . 0.0 111.731 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -154.61 140.66 18.37 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.094 0.958 . . . . 0.0 111.472 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.2 43.59 22.79 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 118.982 0.81 . . . . 0.0 112.951 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 58.7 27.92 16.56 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.65 2.38 . . . . 0.0 115.304 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.4 160.41 43.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.759 1.223 . . . . 0.0 112.525 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.75 123.43 31.9 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.006 -1.059 . . . . 0.0 112.506 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -102.06 129.98 48.52 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 109.165 172.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 88.8 m -95.74 150.36 20.47 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.833 1.253 . . . . 0.0 112.432 -176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -139.91 167.55 21.87 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.213 1.405 . . . . 0.0 111.779 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.9 m80 62.94 8.97 3.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.787 2.435 . . . . 0.0 116.074 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.21 158.49 11.37 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.212 1.805 . . . . 0.0 112.452 -178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -56.55 148.9 18.48 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.98 -9.48 21.89 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -105.28 4.12 30.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.6 130.19 43.97 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.43 1.014 . . . . 0.0 113.024 -173.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.2 p -153.49 58.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 124.029 1.871 . . . . 0.0 110.604 -169.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 80.3 t -65.01 -30.11 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.679 1.592 . . . . 0.0 112.654 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.344 4.2 m-90 -80.01 -160.37 0.02 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 C-N-CA 125.92 1.688 . . . . 0.0 115.156 -166.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.26 0.1 OUTLIER 36.21 64.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.093 2.529 . . . . 0.0 115.378 -161.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.67 127.43 92.63 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 124.005 0.922 . . . . 0.0 112.419 -173.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -71.31 -16.27 31.33 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.403 2.736 . . . . 0.0 115.007 -174.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -130.95 -26.38 2.18 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.1 tptm 64.34 -29.23 0.1 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 119.293 3.072 . . . . 0.0 119.293 168.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -70.98 151.26 44.83 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.253 1.821 . . . . 0.0 112.509 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.0 t -75.91 162.02 28.47 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.245 1.418 . . . . 0.0 112.526 169.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.2 mttp -74.64 155.09 38.17 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.462 1.505 . . . . 0.0 113.231 171.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.596 0 O-C-N 121.042 -1.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 93.2 mttt . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 120.585 0.231 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -126.26 138.39 53.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.169 1.388 . . . . 0.0 109.117 169.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.63 -169.49 40.05 Favored Glycine 0 N--CA 1.47 0.905 0 N-CA-C 115.513 0.965 . . . . 0.0 115.513 -172.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -70.2 140.25 52.46 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -174.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -74.81 94.35 2.75 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 105.385 -2.08 . . . . 0.0 105.385 163.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.98 131.26 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.112 0.965 . . . . 0.0 111.969 -169.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -75.85 97.49 3.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.489 1.116 . . . . 0.0 110.504 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -26.53 55.07 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -72.23 -7.11 47.51 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.108 1.763 . . . . 0.0 115.157 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -147.63 -21.33 0.37 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.3 -1.7 84.57 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.038 1.304 . . . . 0.0 114.891 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.7 m -76.88 141.49 40.55 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 117.989 0.894 . . . . 0.0 111.249 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' CD ' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -86.34 143.65 27.76 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 176.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -71.33 116.27 11.46 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.008 0.923 . . . . 0.0 109.911 173.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.1 p -75.14 165.25 25.52 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.115 1.366 . . . . 0.0 114.015 -173.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.5 m -120.38 141.23 50.28 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.576 1.55 . . . . 0.0 111.396 169.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.89 -17.8 58.72 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.693 1.197 . . . . 0.0 113.202 169.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -141.35 147.65 38.42 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.827 1.651 . . . . 0.0 113.127 173.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.88 154.47 28.34 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.569 1.148 . . . . 0.0 110.427 168.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.35 -12.61 1.77 Allowed Glycine 0 CA--C 1.539 1.592 0 N-CA-C 116.461 1.345 . . . . 0.0 116.461 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.49 140.07 48.01 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.627 -1.514 . . . . 0.0 110.112 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -111.12 -37.24 5.4 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.108 1.363 . . . . 0.0 112.934 -174.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -55.28 -45.64 76.17 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -171.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.7 -47.45 78.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.599 -0.688 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.62 -39.55 84.72 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.657 -0.687 . . . . 0.0 112.152 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.88 -48.17 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.322 1.419 . . . . 0.0 111.64 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.9 mtm-85 -62.6 -33.51 75.13 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.899 0.88 . . . . 0.0 113.183 178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -78.48 -39.29 38.79 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.5 m -60.16 -49.71 76.55 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.471 1.032 . . . . 0.0 110.219 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -69.91 -7.0 36.68 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 79.9 mt -95.85 -37.17 10.84 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.94 0.896 . . . . 0.0 113.045 169.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -81.27 -23.24 38.08 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -121.79 -171.12 2.17 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.005 2.122 . . . . 0.0 110.617 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -53.58 148.48 9.42 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.933 1.693 . . . . 0.0 112.623 172.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -62.95 -22.88 67.11 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.853 -1.154 . . . . 0.0 114.019 -172.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -79.79 4.22 17.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 174.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.52 153.47 42.17 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 119.719 1.145 . . . . 0.0 114.06 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -140.29 164.51 29.89 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.822 2.049 . . . . 0.0 111.411 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.69 -174.97 41.04 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -157.74 171.15 20.83 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.901 2.08 . . . . 0.0 112.347 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.1 m -92.66 126.15 37.62 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -151.1 147.29 26.89 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.922 2.089 . . . . 0.0 110.179 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.65 36.67 14.52 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 61.06 19.55 10.04 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.556 1.943 . . . . 0.0 114.893 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.02 161.91 34.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.737 1.615 . . . . 0.0 112.269 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.9 t -77.99 129.76 35.68 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.707 0.765 . . . . 0.0 111.012 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -118.96 112.2 19.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 127.401 2.28 . . . . 0.0 109.526 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.6 m -99.36 146.34 26.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.46 0.704 . . . . 0.0 111.359 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.6 p -115.56 151.34 35.08 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.378 1.071 . . . . 0.0 112.679 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.7 m80 64.05 24.65 13.6 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.911 1.684 . . . . 0.0 114.914 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.34 163.47 18.07 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.372 1.469 . . . . 0.0 112.256 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.08 164.19 1.76 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.153 1.781 . . . . 0.0 114.66 172.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.7 -16.19 36.86 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -75.2 -9.04 58.19 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.47 156.41 38.91 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.047 0.927 . . . . 0.0 113.448 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.0 p -157.81 156.47 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.043 1.337 . . . . 0.0 111.591 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.6 m -86.08 -128.22 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.184 0.994 . . . . 0.0 109.056 167.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -66.99 -31.57 4.03 Favored Pre-proline 0 CA--C 1.56 1.353 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -87.16 54.12 2.8 Favored 'Trans proline' 0 CA--C 1.547 1.139 0 C-N-CA 123.267 2.645 . . . . 0.0 113.726 -170.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.22 129.54 79.59 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.858 1.263 . . . . 0.0 111.519 174.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.28 -25.02 31.21 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 122.527 2.151 . . . . 0.0 114.113 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -79.69 -44.22 21.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -169.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -145.81 160.21 42.09 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.159 2.184 . . . . 0.0 110.457 -172.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -125.61 116.69 22.11 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 125.064 1.346 . . . . 0.0 113.069 -171.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.3 t -149.23 131.95 15.95 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.128 0.971 . . . . 0.0 112.085 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -90.33 -26.65 19.86 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.254 1.422 . . . . 0.0 113.656 171.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.58 0 O-C-N 121.253 -0.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.2 tttt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -135.59 144.11 45.99 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.305 1.442 . . . . 0.0 111.335 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -171.32 179.49 43.09 Favored Glycine 0 CA--C 1.536 1.345 0 N-CA-C 116.861 1.504 . . . . 0.0 116.861 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -73.75 128.55 35.81 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.967 1.707 . . . . 0.0 112.891 -174.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 tp -77.72 121.66 24.32 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.485 -0.759 . . . . 0.0 112.367 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.54 150.5 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.828 1.251 . . . . 0.0 112.265 -171.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.88 111.65 12.64 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.131 -0.981 . . . . 0.0 111.046 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -59.73 -27.97 66.95 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -81.49 -54.97 4.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.028 0.931 . . . . 0.0 112.473 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 p -112.0 -3.55 14.76 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 115.232 1.568 . . . . 0.0 115.232 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.63 17.54 78.78 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.254 1.407 . . . . 0.0 116.458 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.5 m -63.73 140.88 58.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.22 1.51 . . . . 0.0 113.647 175.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -89.04 140.17 29.71 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.999 1.319 . . . . 0.0 111.058 168.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -97.26 97.86 9.51 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.367 0.667 . . . . 0.0 111.622 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.9 p -73.68 152.36 40.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.452 1.501 . . . . 0.0 113.288 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -147.99 147.58 29.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.643 1.577 . . . . 0.0 110.479 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.73 -48.27 5.01 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -87.86 111.07 21.01 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.844 0.858 . . . . 0.0 110.732 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.3 mt -77.78 149.86 34.4 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.32 2.248 . . . . 0.0 112.965 -169.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.43 -25.37 0.59 Allowed Glycine 0 CA--C 1.536 1.375 0 C-N-CA 125.526 1.536 . . . . 0.0 114.854 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -69.52 148.3 49.66 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.725 1.61 . . . . 0.0 112.815 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -110.54 -10.65 14.52 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.964 1.306 . . . . 0.0 113.884 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -54.68 -32.69 59.75 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.525 1.53 . . . . 0.0 114.9 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -96.27 -39.45 9.65 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.917 1.287 . . . . 0.0 113.377 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 66.1 m -80.17 -23.39 41.09 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -170.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.4 t -61.05 -44.36 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.521 1.51 . . . . 0.0 111.23 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -58.58 -49.58 76.93 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.622 0.769 . . . . 0.0 112.244 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -62.24 -43.66 98.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.99 0.814 . . . . 0.0 111.711 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.6 t -60.21 -45.78 92.0 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.596 1.158 . . . . 0.0 111.843 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.23 -21.77 45.74 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 68.0 mt -81.48 -38.36 26.47 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.603 1.161 . . . . 0.0 112.155 172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -69.94 -43.49 71.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.942 0.792 . . . . 0.0 112.125 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -106.44 -83.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.042 0.937 . . . . 0.0 112.999 -174.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -150.54 148.41 28.65 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.806 1.242 . . . . 0.0 110.852 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -63.41 -22.22 66.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.895 1.442 . . . . 0.0 114.895 -167.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.9 m -87.97 6.92 33.52 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.137 1.375 . . . . 0.0 114.485 173.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.5 166.31 22.91 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 120.876 -1.14 . . . . 0.0 112.765 174.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -149.09 148.72 30.01 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.798 1.239 . . . . 0.0 111.25 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.48 171.76 40.06 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-N 119.544 1.066 . . . . 0.0 115.015 -176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -148.53 171.15 16.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.885 1.274 . . . . 0.0 112.719 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.5 t -86.99 124.06 32.77 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -146.56 131.58 18.23 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.32 1.448 . . . . 0.0 111.672 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 49.82 46.38 24.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.102 1.361 . . . . 0.0 112.763 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.471 1.908 . . . . 0.0 115.665 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.96 157.83 44.09 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.869 -1.144 . . . . 0.0 112.109 170.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.6 m -73.05 130.95 41.46 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.336 -0.852 . . . . 0.0 111.584 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 71.7 t-105 -102.72 136.1 43.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.538 2.335 . . . . 0.0 108.453 170.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 46.2 t -129.31 144.39 51.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.816 1.246 . . . . 0.0 110.866 -169.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.3 p -127.14 171.77 11.12 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.349 1.46 . . . . 0.0 114.093 -167.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 62.37 28.89 17.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.221 2.208 . . . . 0.0 114.011 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 mt -72.97 138.99 46.41 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.665 1.186 . . . . 0.0 113.179 -171.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.21 150.87 40.12 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 166.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.72 -15.7 59.19 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.624 -1.298 . . . . 0.0 113.509 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -78.24 -5.13 50.99 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.02 151.23 45.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.325 1.05 . . . . 0.0 112.78 -177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.2 t -97.28 123.5 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.114 0.966 . . . . 0.0 110.626 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.0 m -139.8 -40.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 125.567 1.547 . . . . 0.0 112.472 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -69.93 145.97 94.79 Favored Pre-proline 0 CA--C 1.543 0.706 0 O-C-N 121.132 -0.98 . . . . 0.0 112.744 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.94 141.74 66.29 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.512 2.808 . . . . 0.0 115.411 -171.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.33 155.24 84.07 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.217 1.007 . . . . 0.0 111.694 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.44 -30.06 5.52 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.908 2.406 . . . . 0.0 113.683 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -97.4 -50.31 4.58 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.727 0.811 . . . . 0.0 111.108 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 52.34 24.42 2.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 129.545 3.138 . . . . 0.0 117.303 170.547 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -75.33 83.78 2.46 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.764 1.625 . . . . 0.0 110.269 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.2 t -60.44 138.87 57.93 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.001 1.721 . . . . 0.0 114.249 -168.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 78.0 mttt 61.46 14.88 6.19 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 127.499 2.32 . . . . 0.0 115.669 -175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 120.449 -1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.3 tttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.92 169.07 18.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.952 0.901 . . . . 0.0 113.314 -167.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.15 160.13 23.02 Favored Glycine 0 CA--C 1.535 1.309 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.64 147.21 52.22 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.006 1.322 . . . . 0.0 111.276 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 tp -80.21 132.46 35.88 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.789 -1.194 . . . . 0.0 112.29 176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.0 151.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.61 1.164 . . . . 0.0 111.875 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.19 155.56 34.42 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-O 122.579 1.181 . . . . 0.0 112.921 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -72.98 -30.59 63.94 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.848 -1.157 . . . . 0.0 111.249 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -85.79 -23.77 27.09 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -158.84 156.64 30.04 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.002 -1.061 . . . . 0.0 112.901 -173.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.03 10.36 20.37 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.942 1.258 . . . . 0.0 115.659 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.2 m -71.07 133.9 46.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.879 1.339 . . . . 0.0 113.689 -171.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.97 155.05 39.6 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.597 1.559 . . . . 0.0 113.298 172.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.64 101.76 9.4 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 110.013 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 p -77.64 143.74 37.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.695 0.798 . . . . 0.0 113.114 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.5 m -98.51 149.75 22.4 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.671 1.188 . . . . 0.0 108.86 169.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.65 -26.11 62.41 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -143.58 152.35 41.3 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.591 1.956 . . . . 0.0 111.442 169.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD21 ' H ' ' A' ' 44' ' ' PHE . 85.2 mt -61.98 136.01 57.79 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 167.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.63 5.82 89.22 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 -174.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -76.6 50.03 0.65 Allowed 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.439 2.12 . . . . 0.0 112.297 169.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -56.94 -37.39 71.47 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.957 1.303 . . . . 0.0 113.869 -166.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.33 -24.27 59.19 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.397 1.479 . . . . 0.0 113.843 -179.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -75.39 -46.84 30.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.779 1.232 . . . . 0.0 111.655 170.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 36.0 t -65.1 -37.25 86.87 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.163 -0.96 . . . . 0.0 112.528 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -56.36 -48.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.041 0.937 . . . . 0.0 110.773 173.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -57.45 -58.12 9.69 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 125.001 1.321 . . . . 0.0 112.096 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.07 -35.51 79.98 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -174.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 43.3 t -66.47 -47.38 73.28 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.364 0.983 . . . . 0.0 111.303 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.38 -21.78 61.97 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.6 mt -79.92 -35.3 38.06 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.495 170.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -78.93 -48.19 15.02 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -95.61 -75.1 0.53 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.368 1.067 . . . . 0.0 111.578 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -161.19 153.63 20.34 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.132 0.973 . . . . 0.0 112.3 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -58.67 -26.86 64.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 m -92.24 6.34 47.1 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.35 150.21 49.28 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.185 0.902 . . . . 0.0 112.969 175.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -121.59 179.22 4.53 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.129 1.772 . . . . 0.0 109.868 171.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.46 -178.94 48.34 Favored Glycine 0 CA--C 1.533 1.203 0 O-C-N 121.111 -0.993 . . . . 0.0 115.073 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -152.55 168.1 26.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.82 2.048 . . . . 0.0 112.589 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -101.87 121.23 41.71 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.254 1.022 . . . . 0.0 111.269 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -151.93 147.04 26.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.021 1.729 . . . . 0.0 109.856 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.21 40.23 25.57 Favored 'General case' 0 CA--C 1.551 1.009 0 O-C-N 121.002 -1.061 . . . . 0.0 112.52 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.418 ' H ' HD21 ' A' ' 19' ' ' LEU . 30.4 m-85 57.49 8.72 0.66 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 128.878 2.871 . . . . 0.0 116.891 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.9 160.95 34.23 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.765 1.226 . . . . 0.0 113.404 -173.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.8 129.09 37.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -122.14 117.94 27.48 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.746 2.018 . . . . 0.0 109.787 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.1 m -80.29 149.5 30.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.009 1.324 . . . . 0.0 112.829 -178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 78.0 p -132.95 162.43 31.66 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.997 1.719 . . . . 0.0 112.566 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 58.76 30.44 20.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.966 1.706 . . . . 0.0 113.968 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.26 151.06 44.62 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.442 1.497 . . . . 0.0 114.077 -172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.28 154.6 37.73 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.147 0.975 . . . . 0.0 111.568 166.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -60.44 -16.75 39.17 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.817 -1.177 . . . . 0.0 113.184 174.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -79.09 -8.68 59.17 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.22 1.408 . . . . 0.0 114.146 -176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 151.26 46.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.646 1.179 . . . . 0.0 113.958 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.81 134.67 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 125.245 1.418 . . . . 0.0 112.225 175.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -135.8 -61.77 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.083 1.353 . . . . 0.0 113.456 -169.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -83.0 -30.34 0.48 Allowed Pre-proline 0 N--CA 1.48 1.055 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -70.47 16.68 0.25 Allowed 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 124.444 3.429 . . . . 0.0 116.94 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.43 117.9 45.2 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 119.592 1.087 . . . . 0.0 109.552 172.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.04 -26.5 10.79 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 121.998 1.799 . . . . 0.0 114.786 -169.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -142.51 -32.5 0.49 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 117.589 2.44 . . . . 0.0 117.589 -166.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -66.25 105.54 1.44 Allowed 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.452 1.024 . . . . 0.0 111.981 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.39 142.56 46.97 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 126.301 1.84 . . . . 0.0 112.361 -174.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.9 t -164.25 137.85 5.29 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.28 1.432 . . . . 0.0 112.006 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -64.79 -32.48 74.19 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.119 1.368 . . . . 0.0 113.333 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 121.285 -0.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.594 0.235 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.64 160.71 31.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.431 1.493 . . . . 0.0 110.607 171.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.2 173.1 39.98 Favored Glycine 0 N--CA 1.47 0.902 0 O-C-N 120.951 -1.093 . . . . 0.0 114.016 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -74.9 148.39 40.17 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.9 tp -76.39 143.73 40.5 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.907 0.883 . . . . 0.0 110.845 171.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.95 153.42 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.321 1.448 . . . . 0.0 111.484 -170.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -60.15 157.44 13.18 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.326 1.05 . . . . 0.0 112.661 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -93.44 -10.92 33.45 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.855 1.262 . . . . 0.0 114.156 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -111.88 -44.8 3.4 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.762 1.225 . . . . 0.0 113.446 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.2 p -107.37 163.08 13.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.512 1.125 . . . . 0.0 112.672 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.28 9.79 5.32 Favored Glycine 0 CA--C 1.54 1.632 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.0 m -78.36 123.05 26.56 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.063 1.432 . . . . 0.0 112.565 -174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -66.99 158.92 29.73 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.364 1.065 . . . . 0.0 111.88 168.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.42 112.38 12.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.997 0.919 . . . . 0.0 110.74 173.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.8 p -81.64 145.73 30.43 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.823 0.849 . . . . 0.0 112.547 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.6 m -114.25 158.26 21.63 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.124 1.769 . . . . 0.0 111.205 173.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.27 -34.53 14.21 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -146.87 158.66 43.98 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.291 1.436 . . . . 0.0 112.948 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -66.41 155.45 37.4 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.69 -0.07 82.93 Favored Glycine 0 CA--C 1.54 1.595 0 O-C-N 120.755 -1.216 . . . . 0.0 115.549 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -90.5 29.07 1.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.188 1.395 . . . . 0.0 111.17 167.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -52.8 -29.91 30.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 128.463 2.705 . . . . 0.0 115.867 -167.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.12 -20.46 65.39 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.819 1.19 . . . . 0.0 113.102 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -56.5 -52.49 64.54 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.37 168.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.3 m -72.77 -29.81 63.61 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.55 -52.72 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.989 0.813 . . . . 0.0 110.176 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.6 ttp-105 -61.78 -57.87 10.19 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 125.467 1.507 . . . . 0.0 113.109 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.47 -30.74 71.56 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.315 -0.865 . . . . 0.0 112.783 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 20.1 t -74.13 -44.53 53.41 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.765 0.711 . . . . 0.0 112.106 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -69.61 -22.33 63.5 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 86.3 mt -78.2 -18.98 54.75 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 169.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -90.97 -64.99 1.05 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.355 1.062 . . . . 0.0 113.608 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -93.42 -57.15 2.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -168.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -156.83 142.7 17.83 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.597 0.759 . . . . 0.0 111.447 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -67.63 -17.53 64.64 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.5 m -89.07 3.85 50.36 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.63 1.572 . . . . 0.0 113.906 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.33 164.09 14.24 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.66 -1.275 . . . . 0.0 112.974 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -152.62 152.72 32.13 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.61 1.164 . . . . 0.0 110.935 -174.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.33 39.79 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 123.385 0.517 . . . . 0.0 114.305 -170.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -161.16 176.56 11.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.631 1.572 . . . . 0.0 111.597 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.1 m -98.06 141.14 31.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.185 0.994 . . . . 0.0 109.89 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -148.4 134.3 19.06 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.439 1.096 . . . . 0.0 109.769 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.22 55.14 6.6 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.209 1.004 . . . . 0.0 113.032 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 57.63 11.21 1.21 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.76 155.03 50.51 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.651 1.114 . . . . 0.0 112.816 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -69.71 158.64 35.0 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.283 1.433 . . . . 0.0 113.113 -175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -146.2 132.34 19.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.419 1.088 . . . . 0.0 112.565 -177.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.9 m -109.4 145.29 36.37 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.477 2.311 . . . . 0.0 111.349 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.7 p -117.69 155.49 29.85 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -178.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 61.07 18.73 9.27 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 127.844 2.458 . . . . 0.0 116.523 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.47 148.19 33.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.485 1.514 . . . . 0.0 112.0 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.75 158.99 20.29 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.1 pm0 -56.11 -23.38 33.89 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.398 1.479 . . . . 0.0 113.261 176.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -79.2 -4.61 51.39 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.55 146.14 34.43 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 120.832 -1.168 . . . . 0.0 113.178 176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.36 138.0 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.827 1.651 . . . . 0.0 109.832 170.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.68 -4.81 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -172.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -59.77 147.94 77.16 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -49.32 125.92 14.64 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 124.27 3.313 . . . . 0.0 114.317 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.54 138.23 40.91 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.646 1.978 . . . . 0.0 112.686 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.32 -22.1 60.6 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.553 2.169 . . . . 0.0 112.585 172.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -50.16 -68.45 0.17 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.485 1.914 . . . . 0.0 112.926 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -140.86 120.0 12.88 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.347 1.059 . . . . 0.0 111.87 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.35 136.77 57.87 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.522 1.529 . . . . 0.0 113.391 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 11.8 m -104.25 130.61 52.04 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.9 0.88 . . . . 0.0 111.436 168.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -158.23 141.96 15.46 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.304 1.842 . . . . 0.0 110.967 173.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.765 0 O-C-N 120.634 -1.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.7 tttt . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 110.783 -0.081 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -134.23 168.25 19.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.759 1.623 . . . . 0.0 110.884 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 175.41 169.78 37.56 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.75 126.32 30.8 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.71 1.604 . . . . 0.0 112.514 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 133.62 50.04 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.387 -0.821 . . . . 0.0 111.388 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.5 p -140.12 139.96 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 123.855 0.862 . . . . 0.0 110.979 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -70.9 124.56 24.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.019 0.927 . . . . 0.0 112.351 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -66.04 -24.19 66.69 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -83.59 -58.62 2.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.88 0.872 . . . . 0.0 111.88 -175.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -92.09 -20.27 21.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.91 4.97 90.39 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.47 1.033 . . . . 0.0 114.663 -170.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -85.23 158.58 20.3 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.924 1.454 . . . . 0.0 114.924 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -66.34 156.49 34.32 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.83 1.652 . . . . 0.0 113.421 169.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -93.53 147.57 22.87 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.799 1.239 . . . . 0.0 111.389 171.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -74.8 167.55 21.61 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.929 0.891 . . . . 0.0 112.507 169.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.71 162.36 29.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.224 1.41 . . . . 0.0 112.977 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.22 178.37 3.92 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.937 1.295 . . . . 0.0 111.963 168.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -55.47 146.53 19.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.272 1.029 . . . . 0.0 110.79 169.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -51.06 143.83 9.94 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 116.004 1.853 . . . . 0.0 116.004 -167.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.84 -6.95 79.6 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 126.05 1.786 . . . . 0.0 115.726 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -62.45 135.89 57.64 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.092 1.446 . . . . 0.0 111.45 172.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.4 65.87 1.24 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.496 1.519 . . . . 0.0 110.876 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -134.85 -64.44 0.66 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.313 1.845 . . . . 0.0 112.311 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -91.47 -41.45 10.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.311 -0.868 . . . . 0.0 112.504 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.55 -35.91 66.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.058 0.943 . . . . 0.0 111.714 169.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.52 -45.14 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 123.955 0.902 . . . . 0.0 111.77 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -65.87 -53.38 40.4 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.808 0.843 . . . . 0.0 111.242 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.63 -36.07 75.62 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.226 0.921 . . . . 0.0 112.871 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 68.9 m -63.6 -55.32 24.64 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.916 0.78 . . . . 0.0 111.348 170.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -72.03 -6.07 39.66 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.09 -26.57 15.45 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.899 1.68 . . . . 0.0 112.914 168.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -80.83 -40.97 24.02 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.284 1.033 . . . . 0.0 112.236 172.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.82 -171.57 2.2 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.822 2.049 . . . . 0.0 109.943 171.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.9 154.09 15.9 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.526 0.73 . . . . 0.0 112.514 166.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.7 pm0 -64.22 -17.06 63.2 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.4 m -65.1 -17.3 64.34 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.039 1.736 . . . . 0.0 115.277 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.57 175.9 3.84 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 -175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -150.75 -170.47 3.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.294 1.438 . . . . 0.0 110.835 172.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.59 179.24 43.26 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 119.998 1.272 . . . . 0.0 115.711 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -158.08 164.75 36.37 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.249 1.42 . . . . 0.0 113.499 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 98.3 m -87.52 136.34 32.98 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.0 1.32 . . . . 0.0 113.067 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -155.03 141.08 18.37 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.696 1.198 . . . . 0.0 110.676 170.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.17 33.72 18.62 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 59.07 27.4 16.34 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.53 1.932 . . . . 0.0 114.394 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -140.83 162.36 35.63 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.338 1.055 . . . . 0.0 113.11 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.4 t -92.71 132.9 36.53 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.219 1.007 . . . . 0.0 113.225 -169.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -117.38 125.16 50.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.01 1.724 . . . . 0.0 110.48 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.0 m -97.01 142.41 28.99 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.355 1.062 . . . . 0.0 112.45 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.8 p -127.55 166.55 17.79 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.234 1.414 . . . . 0.0 111.834 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 23.4 m80 60.98 39.84 16.03 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.039 1.736 . . . . 0.0 113.817 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -89.21 148.55 23.56 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.063 1.345 . . . . 0.0 111.061 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -62.08 145.44 53.25 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.251 0.548 . . . . 0.0 112.323 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.64 -26.85 65.84 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.39 -0.819 . . . . 0.0 112.708 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -76.43 1.08 17.42 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.8 159.94 24.99 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.553 1.141 . . . . 0.0 112.158 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -138.83 132.11 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.554 1.142 . . . . 0.0 109.246 169.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -117.95 -11.72 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -168.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -56.36 151.76 26.89 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.85 143.92 8.74 Favored 'Trans proline' 0 C--N 1.354 0.832 1 C-N-CA 125.45 4.1 . . . . 0.0 115.366 -172.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mp -68.51 116.54 41.27 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 123.954 0.902 . . . . 0.0 109.208 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -67.73 -22.08 44.03 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.101 1.867 . . . . 0.0 112.814 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -85.63 -52.94 5.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.76 1.224 . . . . 0.0 113.299 -176.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -63.04 157.04 23.03 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.298 1.439 . . . . 0.0 113.131 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.4 95.55 2.55 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.802 1.241 . . . . 0.0 112.797 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.81 148.36 51.42 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.568 1.547 . . . . 0.0 113.477 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.8 pttt -56.09 -35.73 67.35 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.626 0 O-C-N 120.428 -1.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.9 tttt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -109.19 160.39 16.14 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.13 1.372 . . . . 0.0 110.516 170.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.39 34.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 116.182 1.233 . . . . 0.0 116.182 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -63.4 149.77 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.552 1.141 . . . . 0.0 111.813 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.0 tp -80.37 92.42 5.81 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.918 0.887 . . . . 0.0 109.425 172.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -78.68 135.96 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -169.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -136.82 147.38 46.55 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 122.556 1.17 . . . . 0.0 112.885 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -88.59 -30.42 19.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.073 . . . . 0.0 112.576 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -82.39 -37.41 25.61 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.035 0.934 . . . . 0.0 112.598 -176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -112.35 133.49 54.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.197 1.799 . . . . 0.0 111.564 173.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.62 -28.07 15.41 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.172 0.892 . . . . 0.0 113.107 173.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m -81.91 148.41 28.77 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.979 0.912 . . . . 0.0 112.181 170.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -53.47 136.89 37.27 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.912 1.685 . . . . 0.0 113.835 176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -69.14 127.95 34.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.975 0.893 . . . . 0.0 111.351 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.6 p -78.0 152.98 32.8 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.981 1.712 . . . . 0.0 113.286 -170.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.65 147.78 47.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.146 1.378 . . . . 0.0 109.907 169.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.04 -31.9 21.73 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 -167.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -150.71 136.77 18.41 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.74 0.816 . . . . 0.0 111.678 -172.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.73 142.3 55.02 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.512 1.125 . . . . 0.0 110.434 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.55 -26.59 3.06 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.697 1.142 . . . . 0.0 115.322 -173.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -80.29 69.07 6.65 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.408 1.604 . . . . 0.0 110.164 174.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -85.93 -14.31 45.13 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.25 -31.14 70.94 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -167.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -74.85 -35.69 62.36 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 120.066 1.303 . . . . 0.0 113.011 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.85 -38.23 84.84 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.953 -1.092 . . . . 0.0 111.688 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.53 -45.33 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 O-C-N 121.144 -0.973 . . . . 0.0 111.905 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -54.3 -52.41 61.58 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.266 1.026 . . . . 0.0 111.29 172.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.4 -44.63 95.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.82 -177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 89.2 m -61.73 -43.68 98.38 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.943 0.792 . . . . 0.0 111.264 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -81.09 -8.08 59.69 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.0 mt -100.2 -27.17 13.65 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.723 0.809 . . . . 0.0 112.786 169.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -73.66 -48.96 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.563 1.545 . . . . 0.0 111.892 170.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -100.59 -167.29 1.42 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.551 1.54 . . . . 0.0 110.735 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.05 152.66 3.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 170.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -56.31 -18.46 10.81 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 116.487 2.032 . . . . 0.0 116.487 -175.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 m -99.78 7.89 44.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.704 1.202 . . . . 0.0 113.23 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.37 160.4 19.07 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -138.7 -179.1 5.62 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.098 1.359 . . . . 0.0 111.008 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.66 -177.2 48.38 Favored Glycine 0 CA--C 1.533 1.172 0 O-C-N 121.229 -0.919 . . . . 0.0 115.362 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.71 163.03 40.84 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.415 1.486 . . . . 0.0 113.739 176.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.5 t -85.39 119.3 25.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 110.55 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -143.06 128.82 19.32 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.299 1.04 . . . . 0.0 111.022 -173.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.26 34.48 11.56 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.167 0.987 . . . . 0.0 112.934 -170.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.253 84.3 m-85 59.75 27.69 17.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.677 1.991 . . . . 0.0 115.396 -174.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.89 149.38 47.61 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.593 169.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.1 t -72.84 131.53 42.38 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.369 -0.832 . . . . 0.0 112.322 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -132.63 134.82 45.36 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.896 1.679 . . . . 0.0 110.183 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.6 m -96.45 148.33 22.91 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.995 0.902 . . . . 0.0 112.821 -170.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -143.81 166.08 25.9 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.803 1.641 . . . . 0.0 111.35 -172.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 41.4 m80 57.74 34.43 24.43 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.259 1.023 . . . . 0.0 112.998 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.6 mt -89.92 156.36 18.5 Favored 'General case' 0 C--O 1.24 0.605 0 C-N-CA 126.202 1.801 . . . . 0.0 113.145 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.55 155.81 24.82 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.353 1.461 . . . . 0.0 113.212 168.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -66.24 -15.61 63.33 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.88 -1.138 . . . . 0.0 112.588 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -5.45 26.64 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 170.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.5 143.37 51.71 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.822 1.646 . . . . 0.0 111.969 169.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.14 148.94 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.107 1.763 . . . . 0.0 110.515 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.9 t -124.64 -38.69 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -65.49 -27.98 2.4 Favored Pre-proline 0 CA--C 1.554 1.116 0 N-CA-C 117.978 2.585 . . . . 0.0 117.978 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -64.02 14.62 0.08 OUTLIER 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.685 3.59 . . . . 0.0 118.857 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -96.65 100.35 7.06 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.784 1.234 . . . . 0.0 110.812 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.4 -2.81 12.29 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.056 2.504 . . . . 0.0 112.653 168.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.45 -68.7 0.29 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.096 1.759 . . . . 0.0 115.312 -168.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -147.18 132.32 18.32 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -168.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.83 150.3 21.42 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.234 2.214 . . . . 0.0 111.609 170.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.8 t -74.76 123.02 24.19 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -65.57 129.32 39.34 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.599 -0.688 . . . . 0.0 110.059 169.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.706 0 O-C-N 121.104 -0.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.0 tttm . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.615 0.245 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -127.38 164.16 22.45 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.559 1.143 . . . . 0.0 111.721 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.98 158.47 30.56 Favored Glycine 0 N--CA 1.469 0.834 0 N-CA-C 115.698 1.039 . . . . 0.0 115.698 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -79.01 142.43 36.6 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.829 -0.806 . . . . 0.0 112.071 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.0 14.22 0.56 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.866 1.802 . . . . 0.0 115.866 -171.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.5 p -49.62 132.42 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.041 1.336 . . . . 0.0 111.753 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -84.56 74.62 10.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.175 1.39 . . . . 0.0 109.45 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -40.93 -7.76 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.454 1 C-N-CA 132.011 4.124 . . . . 0.0 119.727 -168.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -62.76 -23.17 67.07 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.803 1.241 . . . . 0.0 110.361 164.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.2 p -141.04 173.96 10.98 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.212 2.605 . . . . 0.0 110.258 169.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.72 10.91 68.1 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.986 -1.072 . . . . 0.0 115.295 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.51 139.79 57.01 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.487 1.515 . . . . 0.0 114.776 -168.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -82.6 160.56 22.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.907 2.083 . . . . 0.0 114.459 -173.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -129.1 83.33 2.14 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.201 1.4 . . . . 0.0 111.829 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.6 p -72.97 149.44 43.33 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.232 1.413 . . . . 0.0 113.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 t -139.51 112.09 7.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.236 2.215 . . . . 0.0 108.681 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.75 0.43 Allowed 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -169.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -146.18 160.97 41.23 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.752 2.021 . . . . 0.0 110.193 -175.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.4 mt -106.53 157.32 17.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.305 0.642 . . . . 0.0 110.075 168.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.26 -26.02 1.27 Allowed Glycine 0 CA--C 1.539 1.59 0 C-N-CA 125.275 1.417 . . . . 0.0 116.465 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -76.88 66.2 2.71 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.548 1.674 . . . . 0.0 112.495 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -63.47 -21.15 66.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.559 1.544 . . . . 0.0 115.0 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -49.56 -47.92 48.88 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.935 1.694 . . . . 0.0 113.049 -170.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.29 -46.85 85.33 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.207 -0.933 . . . . 0.0 113.063 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.4 m -69.24 -30.6 68.77 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.68 -52.98 52.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.773 1.17 . . . . 0.0 110.027 169.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -57.36 -42.5 82.16 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.737 1.215 . . . . 0.0 113.318 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -77.16 -34.68 56.41 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 176.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.3 t -70.01 -41.32 74.47 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.705 1.139 . . . . 0.0 112.268 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -67.47 -5.17 13.72 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 173.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.8 mt -106.04 -28.08 10.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.616 1.167 . . . . 0.0 113.149 171.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 tpp180 -67.47 -54.78 17.24 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.646 1.178 . . . . 0.0 111.386 168.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -100.05 -176.98 3.4 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.25 1.82 . . . . 0.0 109.449 174.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -56.0 155.96 5.83 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.885 1.274 . . . . 0.0 113.321 175.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -61.42 -18.95 61.23 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -170.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.7 m -80.35 -4.64 54.28 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.44 158.64 35.92 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 120.051 1.296 . . . . 0.0 113.485 178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -141.19 162.81 34.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.079 1.752 . . . . 0.0 111.271 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.7 173.85 41.38 Favored Glycine 0 CA--C 1.532 1.129 0 O-C-N 121.781 -0.575 . . . . 0.0 114.135 175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -146.78 168.5 21.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.887 1.275 . . . . 0.0 113.567 -176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.1 m -82.52 60.63 5.25 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.733 1.213 . . . . 0.0 111.633 -176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -60.78 115.18 3.48 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.128 0.971 . . . . 0.0 110.531 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 46.96 52.87 11.2 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 121.948 0.88 . . . . 0.0 112.484 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 67.5 16.75 9.99 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.05 154.06 39.75 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.761 -1.212 . . . . 0.0 112.718 171.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -74.27 132.78 42.42 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -169.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -135.71 121.78 20.13 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.379 1.871 . . . . 0.0 110.597 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.6 m -81.98 150.17 27.79 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.644 1.578 . . . . 0.0 112.765 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -132.06 159.42 38.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.008 1.723 . . . . 0.0 111.933 -176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 65.06 14.48 9.39 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.37 162.63 29.13 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.183 1.393 . . . . 0.0 113.088 -176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.0 172.45 0.42 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.85 1.26 . . . . 0.0 113.831 167.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.43 -14.81 54.39 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.616 -1.302 . . . . 0.0 113.524 174.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -85.0 18.49 2.47 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 155.94 27.46 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.617 -1.302 . . . . 0.0 113.338 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.27 131.06 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.03 1.332 . . . . 0.0 111.989 -176.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 m -97.83 171.39 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.012 1.325 . . . . 0.0 112.867 175.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -70.09 -28.4 1.39 Allowed Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 116.859 2.17 . . . . 0.0 116.859 -169.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -72.58 119.72 6.28 Favored 'Trans proline' 0 C--N 1.353 0.764 0 CA-C-N 123.485 2.28 . . . . 0.0 111.107 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.2 133.27 22.21 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.153 0.981 . . . . 0.0 109.781 171.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.28 -23.69 38.45 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.65 2.233 . . . . 0.0 114.035 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -138.28 -45.26 0.51 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.753 1.221 . . . . 0.0 113.003 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.46 135.38 57.64 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 120.038 1.29 . . . . 0.0 112.494 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -160.23 104.61 1.48 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.868 1.667 . . . . 0.0 112.193 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.0 m -75.09 149.87 39.0 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -79.98 155.53 27.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.965 0.906 . . . . 0.0 110.948 168.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.575 -1.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.2 tttt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.386 0.136 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.53 154.41 21.78 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.75 0.82 . . . . 0.0 111.003 168.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.85 141.11 11.3 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -80.91 107.37 13.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.146 2.178 . . . . 0.0 110.987 175.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 38.7 tp -78.07 110.33 12.93 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.763 -0.586 . . . . 0.0 112.1 -175.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.09 138.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.952 1.301 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -73.67 84.16 1.6 Allowed 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 168.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -54.88 -2.84 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 118.972 2.952 . . . . 0.0 118.972 -167.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -70.59 -15.4 62.75 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.841 0.856 . . . . 0.0 111.043 163.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -134.63 154.42 51.52 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 129.871 3.269 . . . . 0.0 110.038 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.65 -20.42 56.26 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 116.047 1.179 . . . . 0.0 116.047 -179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 m -80.76 107.98 14.03 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 118.909 1.354 . . . . 0.0 112.296 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 164.35 10.24 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.101 1.761 . . . . 0.0 114.664 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -66.82 117.46 8.96 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.556 1.142 . . . . 0.0 112.728 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.8 p -79.28 156.82 27.91 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.448 1.499 . . . . 0.0 113.193 176.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -130.14 146.13 51.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.914 1.686 . . . . 0.0 110.042 169.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.76 -37.31 30.6 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.445 -0.785 . . . . 0.0 111.979 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -112.96 152.55 29.25 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.368 1.867 . . . . 0.0 111.293 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -86.67 153.59 21.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.273 1.029 . . . . 0.0 112.235 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.11 -26.77 1.47 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.67 1.129 . . . . 0.0 115.423 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -57.6 144.99 35.35 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.509 1.124 . . . . 0.0 112.25 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -137.41 -21.04 1.18 Allowed 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 -170.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.18 -47.08 75.72 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 121.934 2.152 . . . . 0.0 113.433 -177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -67.9 -49.01 64.36 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.705 1.602 . . . . 0.0 112.396 175.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.2 t -64.35 -40.22 95.42 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.494 -0.754 . . . . 0.0 112.488 -178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.74 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.68 1.192 . . . . 0.0 111.009 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.81 -51.08 71.27 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.919 1.287 . . . . 0.0 112.421 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.37 -33.77 73.56 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.604 -0.685 . . . . 0.0 112.602 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.74 -49.19 66.79 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.151 0.887 . . . . 0.0 111.652 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -70.01 -15.03 62.96 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.5 mt -88.74 -17.81 29.1 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.934 0.894 . . . . 0.0 113.105 169.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -85.28 -44.49 12.81 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.357 1.063 . . . . 0.0 112.161 171.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.44 -151.31 0.38 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.296 1.839 . . . . 0.0 110.543 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -78.73 157.71 28.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.745 2.018 . . . . 0.0 112.644 170.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -62.92 -22.28 66.65 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.2 p -80.12 4.19 18.1 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 174.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.98 161.68 28.41 Favored 'General case' 0 CA--C 1.553 1.064 0 O-C-N 120.361 -1.462 . . . . 0.0 114.101 172.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -146.83 171.26 15.46 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.633 1.973 . . . . 0.0 110.378 176.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.8 176.03 45.48 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.864 1.221 . . . . 0.0 113.928 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -151.63 167.56 27.75 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 118.246 1.023 . . . . 0.0 113.718 172.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.56 118.45 20.7 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.94 0.896 . . . . 0.0 112.962 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -140.16 133.59 30.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 128.019 2.528 . . . . 0.0 110.235 -174.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 52.42 37.98 24.06 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.947 1.299 . . . . 0.0 113.402 -171.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 55.7 30.9 16.38 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.133 2.173 . . . . 0.0 114.603 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -143.09 160.29 40.67 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.271 1.828 . . . . 0.0 110.459 173.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.6 t -71.46 149.56 45.75 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.632 -1.292 . . . . 0.0 111.688 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -142.67 112.23 6.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.679 1.592 . . . . 0.0 109.484 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 85.8 m -75.65 148.06 39.0 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.738 0.815 . . . . 0.0 111.33 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -129.94 154.7 47.08 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.957 0.903 . . . . 0.0 112.477 -176.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 27.9 m80 64.63 18.5 11.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.4 mt -75.12 168.27 20.31 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.897 1.279 . . . . 0.0 113.473 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.75 167.29 17.43 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.747 1.219 . . . . 0.0 114.223 169.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -60.93 -17.87 53.57 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.735 1.214 . . . . 0.0 113.388 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -80.88 1.35 31.21 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.59 143.61 57.8 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.602 -1.311 . . . . 0.0 113.6 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.7 t -75.98 147.27 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.389 1.476 . . . . 0.0 110.93 174.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.47 -171.86 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 124.433 1.093 . . . . 0.0 112.905 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 14.3 m-90 -37.16 142.82 0.37 Allowed Pre-proline 0 N--CA 1.478 0.934 0 C-N-CA 128.723 2.809 . . . . 0.0 116.114 -171.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo 31.07 91.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.993 1 C-N-CA 127.06 5.173 . . . . 0.0 117.049 177.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 16.1 tp -56.3 117.09 14.67 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.653 1.581 . . . . 0.0 112.274 -171.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.54 -13.01 24.98 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 122.99 2.46 . . . . 0.0 113.555 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -77.08 -36.52 55.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.158 1.383 . . . . 0.0 113.71 -174.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -151.55 129.97 12.12 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.601 1.561 . . . . 0.0 109.826 -177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -109.12 111.32 22.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.654 1.181 . . . . 0.0 110.741 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 46.0 t -80.41 140.75 35.87 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.62 1.568 . . . . 0.0 112.221 -176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -76.62 -14.36 59.99 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 121.468 -0.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.1 tttt . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 119.931 -0.08 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -101.17 161.51 13.56 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.431 1.092 . . . . 0.0 113.592 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.64 162.58 28.93 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 115.652 1.021 . . . . 0.0 115.652 172.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -71.43 134.96 46.98 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.158 1.383 . . . . 0.0 113.326 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.0 tp -82.72 128.28 34.22 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.121 -0.987 . . . . 0.0 111.476 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 p -148.49 133.21 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.311 1.044 . . . . 0.0 111.525 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -76.4 117.75 18.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.366 1.066 . . . . 0.0 110.83 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -70.47 -24.83 62.94 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -104.0 -29.93 10.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.947 0.899 . . . . 0.0 113.323 -170.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.2 p -145.75 61.66 1.26 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.618 1.967 . . . . 0.0 109.58 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.09 35.81 0.19 Allowed Glycine 0 N--CA 1.47 0.945 0 C-N-CA 129.516 3.436 . . . . 0.0 119.348 -167.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m -67.29 134.63 51.95 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 117.946 0.873 . . . . 0.0 108.927 169.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -56.44 140.28 46.33 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.85 1.66 . . . . 0.0 114.623 -169.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -88.76 67.09 8.25 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.035 1.334 . . . . 0.0 111.939 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m -71.92 151.25 43.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.481 1.113 . . . . 0.0 113.153 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.2 m -117.75 145.74 44.27 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.347 1.859 . . . . 0.0 110.215 168.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.52 -29.0 52.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -133.8 154.75 50.78 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.799 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.87 61.49 1.46 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.716 1.606 . . . . 0.0 110.827 173.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.54 9.23 0.02 OUTLIER Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.683 1.135 . . . . 0.0 115.567 -169.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -86.0 28.87 0.77 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.013 1.906 . . . . 0.0 113.209 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -53.26 -29.36 32.41 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.846 2.058 . . . . 0.0 116.322 -168.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.39 -48.83 55.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.584 1.538 . . . . 0.0 113.221 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -65.95 -40.91 91.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.707 -0.621 . . . . 0.0 112.088 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 69.4 m -62.58 -38.9 91.92 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.308 0.504 . . . . 0.0 112.176 176.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -65.04 -45.9 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.033 0.933 . . . . 0.0 110.663 174.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -64.2 -29.53 70.63 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.107 1.363 . . . . 0.0 113.856 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -75.44 -54.9 6.28 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.295 -0.878 . . . . 0.0 110.626 167.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 32.2 t -59.72 -42.02 92.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.499 1.12 . . . . 0.0 113.009 -170.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -65.89 -14.67 61.93 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.0 mt -107.97 -34.0 7.04 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.33 1.052 . . . . 0.0 112.62 175.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -65.19 -20.76 66.6 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 127.01 2.124 . . . . 0.0 113.897 171.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 51' ' ' LEU . 59.5 m-85 -123.6 -89.07 0.6 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.858 1.663 . . . . 0.0 110.143 174.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -161.06 151.29 17.66 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 128.262 2.625 . . . . 0.0 109.119 -172.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -62.84 -21.12 65.71 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -168.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 m -73.93 -5.1 39.13 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.77 164.25 26.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.882 1.219 . . . . 0.0 113.719 175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -147.68 -174.2 4.48 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.357 1.463 . . . . 0.0 110.699 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.28 176.3 40.96 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 120.756 1.616 . . . . 0.0 116.512 -178.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -154.19 171.92 18.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.857 1.663 . . . . 0.0 113.241 -179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -87.12 69.33 10.13 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 113.463 -178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.5 111.55 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.877 -1.139 . . . . 0.0 111.459 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.89 57.72 4.91 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.393 1.477 . . . . 0.0 112.908 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 64.56 15.85 9.91 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.954 2.102 . . . . 0.0 116.39 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 145.64 51.9 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.619 1.099 . . . . 0.0 112.356 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 91.5 m -66.12 131.7 46.78 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.285 -0.884 . . . . 0.0 112.441 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -132.81 124.38 27.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.661 2.384 . . . . 0.0 109.15 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -85.46 149.74 25.19 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.577 1.151 . . . . 0.0 112.201 -178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.74 167.0 17.9 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.072 1.749 . . . . 0.0 109.866 169.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 25.1 m80 65.05 25.73 12.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.299 1.04 . . . . 0.0 113.713 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 33' ' ' TYR . 32.4 mt -78.9 158.92 27.97 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.758 1.223 . . . . 0.0 112.354 173.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.21 155.26 17.86 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.477 1.511 . . . . 0.0 113.04 177.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -33.59 74.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.732 -1.23 . . . . 0.0 113.179 176.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -82.39 11.86 5.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.912 1.685 . . . . 0.0 114.441 174.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.31 129.42 41.93 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 120.486 1.494 . . . . 0.0 113.661 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.0 t -92.92 113.57 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.225 1.41 . . . . 0.0 111.369 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.6 m -107.0 -16.3 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 124.696 1.199 . . . . 0.0 114.137 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -74.07 132.75 79.3 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 123.856 0.862 . . . . 0.0 111.873 -173.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.91 137.96 22.62 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.227 2.618 . . . . 0.0 115.359 -168.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -81.04 163.51 55.03 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 126.153 1.781 . . . . 0.0 111.756 171.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.56 -25.4 34.85 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 122.424 2.083 . . . . 0.0 113.18 170.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.24 -26.81 64.02 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.297 0.0 OUTLIER -65.04 7.41 0.18 Allowed 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 176.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -68.52 89.65 0.36 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.988 1.715 . . . . 0.0 109.944 169.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.0 t -75.41 156.47 35.33 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.122 0.969 . . . . 0.0 111.745 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -105.58 151.46 24.31 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.818 1.247 . . . . 0.0 111.573 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.676 0 O-C-N 121.091 -1.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.8 tttt . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -97.41 152.07 19.32 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.668 1.187 . . . . 0.0 110.411 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.65 24.26 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 117.491 1.756 . . . . 0.0 117.491 -176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -78.55 128.18 33.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.842 1.657 . . . . 0.0 110.268 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.5 tp -71.25 137.38 48.56 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -175.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -140.76 167.0 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 126.157 1.783 . . . . 0.0 111.941 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -97.98 137.75 36.33 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.334 1.454 . . . . 0.0 108.991 168.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -66.69 -22.24 66.08 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 120.971 -1.081 . . . . 0.0 112.425 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.23 -29.86 38.5 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.5 t -159.47 140.55 12.67 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.129 0.877 . . . . 0.0 112.913 -173.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.81 16.03 2.76 Favored Glycine 0 CA--C 1.541 1.667 0 N-CA-C 117.045 1.578 . . . . 0.0 117.045 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.03 132.99 45.01 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.515 1.658 . . . . 0.0 112.512 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.97 138.75 41.16 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -171.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -80.96 82.48 6.93 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.51 1.124 . . . . 0.0 111.13 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.3 p -70.1 153.23 43.42 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.891 0.876 . . . . 0.0 111.562 169.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 78.0 m -111.4 147.75 34.53 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.12 1.768 . . . . 0.0 109.861 169.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -43.19 70.18 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.436 -0.79 . . . . 0.0 112.962 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -141.65 151.75 43.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.895 1.678 . . . . 0.0 111.558 -174.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -70.83 157.45 38.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.467 0.707 . . . . 0.0 111.131 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.64 -32.43 0.71 Allowed Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.328 1.442 . . . . 0.0 114.91 -176.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -76.16 66.34 2.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.421 1.888 . . . . 0.0 111.554 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -84.85 0.69 50.04 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -59.94 -47.12 87.09 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.444 1.475 . . . . 0.0 112.977 -171.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.89 -43.02 99.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.923 0.889 . . . . 0.0 112.379 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.77 -46.42 84.58 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.91 0.884 . . . . 0.0 112.336 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.79 -46.45 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.9 0.773 . . . . 0.0 111.219 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -61.71 -51.06 69.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.135 0.974 . . . . 0.0 112.143 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.04 -26.75 67.66 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.782 -1.199 . . . . 0.0 113.594 178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.47 -41.69 23.94 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 177.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -67.24 -31.75 72.31 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.391 -0.818 . . . . 0.0 112.169 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.4 mt -72.66 -19.89 61.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -81.85 -66.85 0.84 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.269 1.028 . . . . 0.0 112.5 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -90.74 -67.16 0.87 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -168.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -157.88 148.71 20.98 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.54 1.536 . . . . 0.0 109.998 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.49 -25.16 66.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -169.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 m -74.66 -3.54 31.93 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 172.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 151.94 46.64 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.869 1.668 . . . . 0.0 113.378 -172.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -139.48 159.8 41.33 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.509 1.524 . . . . 0.0 111.033 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.03 174.46 43.55 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 124.842 1.211 . . . . 0.0 112.693 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -146.6 164.28 33.13 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.844 0.858 . . . . 0.0 113.124 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.6 52.12 2.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.083 1.353 . . . . 0.0 113.257 -169.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -53.08 120.63 6.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.658 1.183 . . . . 0.0 110.678 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.62 39.35 21.27 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.993 0.917 . . . . 0.0 113.429 -176.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 65.62 22.52 11.69 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.427 1.891 . . . . 0.0 114.957 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.67 149.29 49.24 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.947 -1.095 . . . . 0.0 113.382 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -72.66 121.5 19.89 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -174.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -127.23 120.99 29.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.871 2.068 . . . . 0.0 108.983 -177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 55.9 m -109.97 156.28 20.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.464 1.106 . . . . 0.0 113.475 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -117.69 161.29 19.91 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.104 1.362 . . . . 0.0 113.78 -168.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 56.0 25.13 8.44 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.102 1.361 . . . . 0.0 114.558 169.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.22 151.46 44.29 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.07 1.748 . . . . 0.0 112.129 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -70.23 158.5 35.73 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.6 0.76 . . . . 0.0 112.146 169.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -58.08 -29.02 65.12 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.925 0.89 . . . . 0.0 112.785 176.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -80.41 11.76 3.44 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.83 143.39 55.8 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.715 -1.241 . . . . 0.0 112.918 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.4 132.68 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.838 0.855 . . . . 0.0 112.456 170.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -157.31 95.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.072 1.749 . . . . 0.0 108.857 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.392 25.5 m-90 51.12 -143.82 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.441 1.496 . . . . 0.0 113.697 -167.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER 34.21 45.61 0.0 OUTLIER 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 124.335 3.356 . . . . 0.0 116.573 -165.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.4 mt -72.25 142.64 84.87 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.351 1.06 . . . . 0.0 113.694 -169.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.71 -12.28 26.53 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.285 2.657 . . . . 0.0 111.781 167.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -104.36 -116.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.712 2.005 . . . . 0.0 112.611 -169.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -110.65 141.24 44.15 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 118.238 2.681 . . . . 0.0 118.238 -165.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -82.26 106.75 14.4 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.08 2.152 . . . . 0.0 107.591 166.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.7 t -66.16 148.32 52.01 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -168.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -54.37 154.42 4.62 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.792 1.637 . . . . 0.0 113.592 174.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.683 0 O-C-N 121.052 -1.03 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.7 tttt . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 119.895 -0.098 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -121.05 153.04 37.92 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.782 1.233 . . . . 0.0 113.013 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.79 163.88 27.31 Favored Glycine 0 CA--C 1.532 1.145 0 O-C-N 121.459 -0.776 . . . . 0.0 113.616 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -70.91 148.71 47.47 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.097 -1.237 . . . . 0.0 113.568 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.9 tp -76.92 129.27 35.94 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.502 1.121 . . . . 0.0 111.73 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 p -149.42 137.63 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-O 121.986 0.898 . . . . 0.0 113.146 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -101.52 130.78 47.86 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.303 1.441 . . . . 0.0 108.494 168.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -69.8 -25.41 63.76 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 -172.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -74.99 -28.84 60.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -89.78 151.38 21.84 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.082 -1.011 . . . . 0.0 111.493 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -21.74 64.99 Favored Glycine 0 CA--C 1.537 1.436 0 CA-C-O 117.633 -1.648 . . . . 0.0 116.389 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -141.79 159.29 42.53 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.97 1.885 . . . . 0.0 113.168 -170.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -63.36 166.9 5.84 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 127.268 2.227 . . . . 0.0 115.12 174.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -74.3 120.27 19.64 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.393 1.477 . . . . 0.0 113.178 -178.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.7 p -75.55 161.65 28.98 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.298 1.039 . . . . 0.0 113.161 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -157.19 172.67 18.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.786 1.234 . . . . 0.0 111.878 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.68 -121.28 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.264 1.026 . . . . 0.0 113.341 -175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -75.44 144.03 42.35 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 120.652 -1.28 . . . . 0.0 112.828 -171.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.12 136.14 56.99 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.094 -1.004 . . . . 0.0 111.77 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.09 -15.16 58.77 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 125.43 1.491 . . . . 0.0 115.023 -172.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -66.49 127.99 34.48 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.711 1.756 . . . . 0.0 109.311 169.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -135.97 -18.0 1.61 Allowed 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 -168.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -59.24 -34.19 71.91 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 122.052 2.206 . . . . 0.0 114.374 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -71.31 -55.28 8.35 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.03 -1.043 . . . . 0.0 110.954 170.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 88.2 m -60.39 -39.78 88.53 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -62.69 -51.46 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.154 0.982 . . . . 0.0 110.556 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -66.65 -45.24 79.65 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.109 0.964 . . . . 0.0 111.611 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.34 -39.64 95.1 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.086 0.857 . . . . 0.0 112.892 173.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 39.1 t -64.21 -46.73 82.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.704 1.138 . . . . 0.0 111.758 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -77.17 -6.23 52.16 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.9 mt -101.08 -23.82 14.41 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.42 1.088 . . . . 0.0 112.81 169.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -76.22 -47.08 25.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.523 1.129 . . . . 0.0 111.612 171.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.48 -168.8 1.5 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.142 1.777 . . . . 0.0 110.164 174.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.63 144.56 13.61 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -64.98 -14.91 61.52 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 m -69.83 -9.78 56.0 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.52 160.25 16.9 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -147.61 -174.41 4.53 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.558 1.943 . . . . 0.0 110.075 171.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.7 -168.05 39.95 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 120.199 -1.563 . . . . 0.0 116.673 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -159.42 169.5 23.8 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.222 1.809 . . . . 0.0 112.177 172.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.4 t -86.01 138.21 32.14 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.222 -0.924 . . . . 0.0 111.347 172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -151.98 133.24 14.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.531 1.132 . . . . 0.0 110.09 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 45.77 45.51 11.4 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.495 1.118 . . . . 0.0 113.67 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.64 22.21 12.75 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.59 142.88 27.29 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.98 -1.075 . . . . 0.0 112.539 168.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 90.7 m -66.7 127.39 32.23 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.696 -0.628 . . . . 0.0 112.306 -172.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -110.35 107.71 17.52 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.101 1.76 . . . . 0.0 109.062 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 72.4 m -73.65 151.78 40.69 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.348 1.059 . . . . 0.0 111.097 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 p -134.24 163.53 29.42 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.162 1.385 . . . . 0.0 111.021 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 36.9 m80 61.97 20.54 11.63 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.952 1.301 . . . . 0.0 113.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.35 158.58 35.69 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.107 1.363 . . . . 0.0 112.409 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.15 160.76 4.68 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.557 1.543 . . . . 0.0 114.207 172.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -58.54 -21.3 52.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.241 1.416 . . . . 0.0 113.184 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -77.2 -5.47 49.33 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.51 143.99 55.88 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.053 0.842 . . . . 0.0 111.853 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.1 t -140.17 140.24 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 126.254 1.822 . . . . 0.0 110.534 -172.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.6 m -108.3 -1.2 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 124.727 1.211 . . . . 0.0 114.258 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -67.96 141.76 94.75 Favored Pre-proline 0 CA--C 1.554 1.111 0 O-C-N 120.774 -1.204 . . . . 0.0 110.381 167.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -60.65 150.71 80.7 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.564 2.842 . . . . 0.0 114.509 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.63 141.56 92.13 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.806 1.242 . . . . 0.0 112.686 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -72.46 -16.61 27.41 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.028 2.486 . . . . 0.0 113.175 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -69.17 -67.9 0.44 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.886 1.674 . . . . 0.0 113.269 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -127.42 149.95 49.85 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.668 1.187 . . . . 0.0 112.892 -174.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 mmp_? -90.49 133.86 34.76 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.031 1.332 . . . . 0.0 111.687 173.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.7 t -77.21 141.11 40.22 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 173.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -152.39 174.7 13.52 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.218 1.407 . . . . 0.0 111.779 174.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.551 0 O-C-N 121.227 -0.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -120.76 141.33 50.58 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.324 1.05 . . . . 0.0 111.81 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -173.91 171.93 44.9 Favored Glycine 0 CA--C 1.534 1.268 0 N-CA-C 116.301 1.28 . . . . 0.0 116.301 -178.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -66.72 131.16 45.37 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.235 2.214 . . . . 0.0 112.855 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 tp -78.86 120.02 22.89 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.266 -0.896 . . . . 0.0 111.417 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 p -134.74 147.73 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.331 1.053 . . . . 0.0 111.596 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.18 117.47 7.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.41 1.084 . . . . 0.0 112.214 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -57.95 -25.62 61.19 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.79 1.636 . . . . 0.0 114.038 177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -88.36 -41.76 12.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.416 1.086 . . . . 0.0 113.217 -171.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.7 p -140.73 -1.95 1.4 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 -172.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.93 10.16 79.31 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 117.137 1.615 . . . . 0.0 117.137 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.1 m -58.25 141.21 51.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.502 1.651 . . . . 0.0 113.069 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -81.89 156.68 24.68 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -108.19 99.75 9.14 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.24 1.016 . . . . 0.0 111.768 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -74.3 162.79 28.55 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.074 0.95 . . . . 0.0 113.063 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.2 t -156.56 163.59 39.19 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.396 1.878 . . . . 0.0 111.512 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.8 179.38 0.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.406 1.882 . . . . 0.0 114.642 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -54.1 157.03 2.73 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.697 1.599 . . . . 0.0 111.822 169.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.1 mt -50.28 160.52 0.37 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.959 2.104 . . . . 0.0 114.93 -171.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.24 -38.04 2.01 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 126.236 1.874 . . . . 0.0 115.912 174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -72.83 72.27 1.07 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.479 1.912 . . . . 0.0 111.72 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -90.06 -15.31 32.02 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 117.369 2.359 . . . . 0.0 117.369 -168.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -25.05 67.48 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -166.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -69.39 -45.33 69.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 118.842 0.746 . . . . 0.0 111.005 170.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.0 t -68.42 -33.29 73.95 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.001 0.92 . . . . 0.0 112.951 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.3 t -56.94 -46.98 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.176 1.353 . . . . 0.0 110.682 170.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -64.07 -45.87 86.82 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.863 0.865 . . . . 0.0 112.158 176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.07 -41.81 98.55 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.566 1.076 . . . . 0.0 112.969 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.39 -48.16 80.95 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.996 1.718 . . . . 0.0 111.312 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -80.09 -3.03 47.02 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -103.51 -30.83 10.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.873 1.269 . . . . 0.0 112.587 169.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -71.33 -51.11 26.07 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.272 1.829 . . . . 0.0 110.061 172.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -103.7 -172.27 2.08 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.814 1.246 . . . . 0.0 109.246 167.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.67 156.24 27.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.696 1.199 . . . . 0.0 114.145 -178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -54.27 -28.9 44.79 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m -83.11 0.3 45.72 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.21 160.57 31.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.892 0.877 . . . . 0.0 111.946 169.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -149.46 157.2 43.09 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.395 1.078 . . . . 0.0 111.902 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.95 -178.37 35.79 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 117.48 1.752 . . . . 0.0 117.48 -171.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -159.17 171.38 20.02 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.382 2.273 . . . . 0.0 111.089 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.5 m -104.75 147.26 27.89 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.131 -0.981 . . . . 0.0 113.269 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -148.31 134.19 19.05 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.051 1.341 . . . . 0.0 108.852 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 48.31 39.21 11.82 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.828 1.251 . . . . 0.0 114.018 -176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.252 77.5 m-85 64.58 24.79 13.09 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.406 1.882 . . . . 0.0 115.513 -177.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.72 151.86 47.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.431 1.092 . . . . 0.0 113.184 172.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.37 136.89 38.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.608 1.163 . . . . 0.0 113.291 -173.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -121.8 136.32 54.93 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.934 2.494 . . . . 0.0 108.957 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 47.8 t -132.05 147.36 52.44 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.509 1.124 . . . . 0.0 111.434 -168.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.2 p -133.46 163.8 28.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.876 1.67 . . . . 0.0 112.791 -167.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 63.63 25.71 14.38 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.037 1.735 . . . . 0.0 112.629 -168.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.37 138.86 49.52 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.367 1.467 . . . . 0.0 111.304 177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.01 161.11 25.06 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 122.56 1.171 . . . . 0.0 113.23 169.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.0 pm0 -61.51 -18.87 61.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.402 1.081 . . . . 0.0 113.655 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -81.6 5.64 17.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.061 1.345 . . . . 0.0 113.98 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.66 172.43 8.67 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 120.839 -1.163 . . . . 0.0 113.323 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.6 p -140.74 148.97 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.943 1.697 . . . . 0.0 110.619 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.42 156.01 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.022 1.729 . . . . 0.0 110.844 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.0 m95 58.43 177.36 0.04 OUTLIER Pre-proline 0 CA--C 1.56 1.343 0 C-N-CA 125.622 1.569 . . . . 0.0 113.146 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -57.66 143.76 94.33 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.71 2.273 . . . . 0.0 113.988 -173.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.7 122.71 69.04 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.265 172.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.73 -20.28 30.45 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.806 2.338 . . . . 0.0 113.199 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -52.19 -46.82 65.72 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.07 1.348 . . . . 0.0 113.61 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -137.72 172.06 13.52 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.294 2.238 . . . . 0.0 110.708 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -100.31 143.93 29.92 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.626 1.17 . . . . 0.0 112.099 173.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 38.6 t -74.65 128.66 36.11 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.944 0.498 . . . . 0.0 109.807 169.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.15 136.16 55.55 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 118.775 0.716 . . . . 0.0 112.342 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.734 0 O-C-N 120.938 -1.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 79.7 tttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.084 0.469 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.98 164.85 16.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.124 2.17 . . . . 0.0 111.464 -173.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.63 155.16 26.25 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 123.552 0.596 . . . . 0.0 113.333 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -79.46 158.31 27.32 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.037 -1.272 . . . . 0.0 111.2 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.0 tp -71.89 47.96 0.15 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.101 0.96 . . . . 0.0 112.172 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -75.24 102.22 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 120.204 -1.56 . . . . 0.0 113.83 -169.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.82 100.72 11.73 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.921 1.289 . . . . 0.0 107.874 167.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -70.4 -1.07 9.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.395 1.478 . . . . 0.0 114.558 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -65.72 -21.63 66.54 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.806 1.242 . . . . 0.0 112.73 172.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.0 t -154.51 156.62 37.0 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.81 3.19 57.16 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 116.056 1.182 . . . . 0.0 116.056 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.8 m -62.85 151.28 39.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.359 1.579 . . . . 0.0 113.193 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -84.26 152.04 24.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 110.843 168.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -117.1 75.48 0.98 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 123.27 1.509 . . . . 0.0 111.93 -169.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.2 p -68.27 157.14 36.21 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.946 2.098 . . . . 0.0 113.466 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 p -161.64 -174.01 4.02 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.467 1.507 . . . . 0.0 112.602 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.92 -176.16 1.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.628 1.971 . . . . 0.0 116.301 -169.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.07 157.6 9.96 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.891 1.276 . . . . 0.0 113.023 169.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.8 mt -55.79 140.37 42.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.173 0.989 . . . . 0.0 112.254 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.98 -32.14 1.75 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.29 1.424 . . . . 0.0 114.853 178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -77.73 33.43 0.17 Allowed 'General case' 0 CA--C 1.551 1.017 0 O-C-N 120.936 -1.332 . . . . 0.0 112.286 171.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.34 30.63 7.06 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.543 2.053 . . . . 0.0 116.543 -166.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -55.67 -29.43 59.31 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -55.94 -43.69 77.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.759 0.823 . . . . 0.0 112.134 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 71.5 m -67.23 -35.91 80.55 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.142 -0.974 . . . . 0.0 111.63 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 29.3 t -66.2 -38.68 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.571 1.078 . . . . 0.0 111.326 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -69.84 -39.4 76.46 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.358 1.063 . . . . 0.0 113.809 173.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.68 -34.01 30.92 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 117.765 -1.112 . . . . 0.0 113.496 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.2 m -64.13 -38.29 90.53 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 121.092 1.769 . . . . 0.0 111.236 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -71.72 -4.81 29.61 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.2 mt -108.19 -34.93 6.7 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.266 1.426 . . . . 0.0 112.548 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -68.94 -30.07 68.44 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.981 2.512 . . . . 0.0 112.786 175.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -122.82 -173.09 2.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 129.0 2.92 . . . . 0.0 108.151 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.47 155.16 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 169.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -56.3 -15.74 4.42 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.333 1.453 . . . . 0.0 114.774 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -75.71 -16.6 60.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.556 1.542 . . . . 0.0 114.69 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.48 164.47 16.36 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -169.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -125.17 169.36 12.29 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.593 2.757 . . . . 0.0 110.021 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.93 167.77 38.24 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 115.248 0.859 . . . . 0.0 115.248 169.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -157.32 171.22 20.79 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.199 0.999 . . . . 0.0 113.448 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.3 m -84.43 59.4 5.4 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.192 0.997 . . . . 0.0 113.427 -176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -63.04 115.68 4.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.909 0.883 . . . . 0.0 109.999 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.9 49.24 17.14 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.758 1.223 . . . . 0.0 112.884 -170.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 63.47 27.37 15.12 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.9 149.45 32.26 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.823 -1.173 . . . . 0.0 113.134 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.4 m -68.48 111.48 4.72 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.926 0.869 . . . . 0.0 113.112 -170.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -110.41 114.63 28.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 127.281 2.232 . . . . 0.0 108.898 176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 31.7 m -87.47 141.94 28.24 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.51 1.124 . . . . 0.0 111.032 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.6 p -131.39 164.99 24.47 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.885 1.274 . . . . 0.0 112.26 -169.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.7 m80 59.86 48.96 8.39 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.614 1.565 . . . . 0.0 112.457 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.7 mt -105.68 163.04 13.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.978 1.311 . . . . 0.0 113.69 -170.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.64 158.74 11.94 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 169.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.26 -23.75 38.35 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.199 0.999 . . . . 0.0 113.507 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -73.34 -3.12 25.17 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.74 159.48 16.26 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.4 p -145.01 152.47 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 125.761 1.624 . . . . 0.0 112.165 -175.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.96 160.21 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.592 1.557 . . . . 0.0 114.017 -170.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . 0.257 4.7 m0 57.99 163.53 0.08 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 130.232 3.413 . . . . 0.0 118.175 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -57.74 144.35 93.43 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.925 3.083 . . . . 0.0 113.023 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.28 122.19 41.78 Favored Pre-proline 0 CA--C 1.543 0.694 0 C-N-CA 123.224 0.609 . . . . 0.0 112.305 -168.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.56 -20.33 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.24 1.96 . . . . 0.0 113.464 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -81.75 -26.8 34.2 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -170.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -115.7 155.04 28.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.285 1.834 . . . . 0.0 112.07 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.76 164.17 16.86 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.501 1.521 . . . . 0.0 110.687 169.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.5 t -83.91 136.89 33.92 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.477 1.111 . . . . 0.0 113.572 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -71.05 175.21 5.37 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 126.559 1.944 . . . . 0.0 113.7 173.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 120.924 -1.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' HE2' HG11 ' A' ' 57' ' ' VAL . 70.5 tttt . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.98 154.28 21.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.176 0.898 . . . . 0.0 109.466 168.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -152.13 165.17 30.7 Favored Glycine 0 N--CA 1.469 0.881 0 N-CA-C 117.367 1.707 . . . . 0.0 117.367 -172.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -82.64 172.98 12.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.452 1.501 . . . . 0.0 112.515 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -139.17 107.63 5.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.523 1.129 . . . . 0.0 110.227 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.53 147.57 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.696 1.198 . . . . 0.0 112.118 -172.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -65.0 144.78 57.07 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.072 1.349 . . . . 0.0 111.916 176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -81.39 -26.45 35.44 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.388 -1.445 . . . . 0.0 113.14 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -86.34 -21.88 26.99 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -156.06 165.25 36.98 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.171 1.788 . . . . 0.0 109.909 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.11 12.05 3.39 Favored Glycine 0 CA--C 1.542 1.754 0 O-C-N 120.638 -1.288 . . . . 0.0 116.162 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -74.66 129.17 37.24 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.134 1.467 . . . . 0.0 114.742 -170.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.54 144.59 30.28 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.652 1.581 . . . . 0.0 111.118 169.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.92 116.71 16.9 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.805 -0.56 . . . . 0.0 111.742 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 t -76.23 167.92 20.99 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.483 0.713 . . . . 0.0 112.611 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 t -144.96 138.15 26.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.952 2.101 . . . . 0.0 110.903 177.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.58 -27.08 20.47 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -143.14 132.67 23.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.539 1.536 . . . . 0.0 112.504 176.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.5 mt -75.02 165.63 24.95 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.094 0.958 . . . . 0.0 111.498 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.54 -42.61 2.64 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.662 1.125 . . . . 0.0 114.148 175.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.98 84.77 1.27 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.037 1.335 . . . . 0.0 110.029 169.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -70.2 -18.53 63.18 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.375 -1.453 . . . . 0.0 114.386 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -55.11 -39.08 68.96 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -56.67 -51.12 69.97 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.695 0.68 . . . . 0.0 111.677 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 89.5 m -77.45 -24.79 50.25 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.258 -0.877 . . . . 0.0 113.366 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.7 t -60.8 -47.74 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 120.06 1.3 . . . . 0.0 110.381 170.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -58.01 -49.87 75.37 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.925 0.89 . . . . 0.0 112.454 175.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -67.86 -32.2 72.55 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.259 -0.901 . . . . 0.0 112.703 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.2 t -73.49 -44.74 57.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 120.336 1.426 . . . . 0.0 112.414 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -63.95 -21.66 66.58 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.029 0.932 . . . . 0.0 113.202 174.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.64 -36.97 17.16 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.515 0.726 . . . . 0.0 112.299 169.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -59.82 -51.0 71.59 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.907 1.283 . . . . 0.0 112.422 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.44 -90.75 0.37 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.574 1.55 . . . . 0.0 110.423 -177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -145.99 153.34 40.66 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.176 1.39 . . . . 0.0 111.343 -177.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.0 -30.11 63.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -169.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.8 p -85.27 6.35 26.53 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.362 1.465 . . . . 0.0 114.725 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.99 165.8 22.68 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -132.41 165.84 23.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.979 1.711 . . . . 0.0 111.885 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.81 -176.91 47.04 Favored Glycine 0 CA--C 1.533 1.208 0 O-C-N 121.493 -0.755 . . . . 0.0 114.425 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 p90 -159.96 178.85 9.31 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.068 1.747 . . . . 0.0 112.139 175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.4 m -93.32 140.1 29.93 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.436 0.694 . . . . 0.0 110.907 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -148.51 136.96 21.31 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.423 1.889 . . . . 0.0 109.038 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.75 44.27 27.85 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.327 1.051 . . . . 0.0 112.772 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 55.18 29.23 12.3 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.295 1.438 . . . . 0.0 114.494 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -144.46 163.57 33.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.113 1.365 . . . . 0.0 110.796 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.9 m -71.65 161.33 31.16 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 122.209 1.004 . . . . 0.0 113.216 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -151.83 133.0 14.41 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.319 2.248 . . . . 0.0 108.198 171.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.6 m -101.73 147.96 25.84 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.45 1.1 . . . . 0.0 110.978 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.9 p -133.3 157.63 44.98 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.846 0.832 . . . . 0.0 112.682 -172.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.81 26.49 13.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.965 1.306 . . . . 0.0 113.46 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.8 mt -74.8 165.19 25.65 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 120.46 -1.4 . . . . 0.0 112.162 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.42 169.83 5.52 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.826 1.651 . . . . 0.0 114.617 169.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -62.99 -20.31 65.17 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 121.226 -0.921 . . . . 0.0 113.381 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -77.88 5.87 8.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.72 150.09 49.59 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -175.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.67 133.44 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 167.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG11 ' HE2' ' A' ' 1' ' ' LYS . 28.8 m -134.12 139.34 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.023 0.929 . . . . 0.0 110.927 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 60.28 159.88 0.11 Allowed Pre-proline 0 CA--C 1.562 1.422 0 C-N-CA 126.606 1.962 . . . . 0.0 116.177 -175.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.71 164.39 21.48 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.142 3.228 . . . . 0.0 114.877 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.52 124.17 68.27 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 123.931 0.893 . . . . 0.0 111.807 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -85.32 -20.76 3.2 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.564 2.843 . . . . 0.0 114.527 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -96.45 -67.48 0.85 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -67.46 139.68 57.06 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.128 -0.983 . . . . 0.0 111.111 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -106.87 158.06 17.29 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.174 1.389 . . . . 0.0 112.319 175.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.4 t -81.44 140.65 34.52 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.59 1.156 . . . . 0.0 113.542 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -124.89 150.21 46.75 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.963 1.705 . . . . 0.0 111.603 173.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 O-C-N 120.928 -1.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 76.3 tttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -99.97 146.89 26.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.149 0.98 . . . . 0.0 111.306 172.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.25 158.34 30.69 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 115.037 0.775 . . . . 0.0 115.037 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -71.51 158.93 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.827 1.651 . . . . 0.0 112.531 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 tp -67.71 78.22 0.2 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 124.773 1.229 . . . . 0.0 111.506 169.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -53.12 151.82 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 126.787 2.035 . . . . 0.0 113.557 -172.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -152.21 150.66 30.07 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.324 1.05 . . . . 0.0 110.985 171.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -88.2 -25.93 22.65 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.893 1.277 . . . . 0.0 112.271 170.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -72.08 -35.66 69.31 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -169.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -153.6 152.7 31.17 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.249 1.02 . . . . 0.0 113.124 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -83.35 -4.21 89.6 Favored Glycine 0 CA--C 1.538 1.505 0 CA-C-O 118.45 -1.195 . . . . 0.0 115.128 170.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.6 m -77.33 145.88 37.09 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.07 1.935 . . . . 0.0 113.28 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -69.43 124.91 25.12 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.424 1.889 . . . . 0.0 114.892 -174.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -80.18 98.8 7.49 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.851 1.26 . . . . 0.0 111.561 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 p -78.39 157.86 28.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.743 2.017 . . . . 0.0 112.974 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.1 p -154.77 -141.31 0.1 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.195 0.998 . . . . 0.0 113.202 177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.23 179.24 1.63 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.357 2.663 . . . . 0.0 114.28 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.88 164.67 23.24 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.3 1.048 . . . . 0.0 112.22 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.3 129.99 44.77 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.851 0.834 . . . . 0.0 112.185 -169.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.54 -18.11 35.68 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.952 1.263 . . . . 0.0 115.126 -175.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -70.54 139.53 51.56 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.613 1.707 . . . . 0.0 111.651 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -133.1 -21.65 2.08 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.234 1.813 . . . . 0.0 115.248 -166.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -56.07 -39.73 72.51 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -170.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -76.14 -48.96 18.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.858 1.263 . . . . 0.0 112.905 171.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.5 t -63.35 -34.5 77.84 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.599 -0.688 . . . . 0.0 112.807 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -57.25 -43.48 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.316 -0.865 . . . . 0.0 112.003 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -63.48 -36.2 82.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.869 0.868 . . . . 0.0 112.884 -177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.25 -44.83 58.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.842 0.457 . . . . 0.0 112.006 170.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.19 -44.02 97.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.95 1.3 . . . . 0.0 112.003 -173.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -68.33 -13.71 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.359 1.464 . . . . 0.0 114.897 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.6 mt -97.69 -33.28 11.36 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.447 1.099 . . . . 0.0 112.287 171.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -77.32 -45.05 27.43 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -93.02 -88.52 0.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.997 0.919 . . . . 0.0 110.277 172.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -157.63 164.41 37.26 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.416 1.086 . . . . 0.0 112.097 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.49 -30.9 68.88 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -168.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.1 p -82.43 2.81 30.79 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 173.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.85 154.09 42.14 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.595 1.089 . . . . 0.0 113.48 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -141.78 152.03 43.38 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.62 1.968 . . . . 0.0 111.079 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.11 172.79 42.88 Favored Glycine 0 CA--C 1.532 1.102 0 O-C-N 121.188 -0.945 . . . . 0.0 114.8 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -149.03 168.74 22.33 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.957 1.303 . . . . 0.0 113.228 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.6 m -82.05 64.35 6.69 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.499 1.12 . . . . 0.0 112.764 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -67.39 126.95 30.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.946 1.298 . . . . 0.0 110.274 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.39 36.9 14.16 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 123.879 0.872 . . . . 0.0 113.289 -169.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 64.96 10.78 6.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 116.133 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.77 143.67 50.96 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.374 1.069 . . . . 0.0 112.081 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -66.88 126.96 30.73 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.734 0.778 . . . . 0.0 112.502 -169.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -138.9 116.11 11.07 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.159 1.783 . . . . 0.0 110.307 -168.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 98.0 m -89.02 154.26 20.35 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.849 2.06 . . . . 0.0 112.665 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -124.21 161.26 26.1 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.708 2.003 . . . . 0.0 112.349 -168.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 55.76 21.05 4.41 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.532 1.933 . . . . 0.0 115.697 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.3 mt -75.53 164.07 26.72 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.468 1.507 . . . . 0.0 114.952 -170.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.03 168.03 7.09 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.757 1.623 . . . . 0.0 114.321 168.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -54.69 -24.48 22.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.633 1.973 . . . . 0.0 114.352 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -76.43 2.74 12.8 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.088 1.355 . . . . 0.0 114.564 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.13 157.45 33.63 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.06 150.15 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 126.515 1.926 . . . . 0.0 110.27 -172.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 m -115.0 177.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.747 1.219 . . . . 0.0 112.961 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -50.89 161.22 0.7 Allowed Pre-proline 0 CA--C 1.559 1.312 0 C-N-CA 126.898 2.079 . . . . 0.0 113.6 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . 0.315 0.1 OUTLIER 41.6 73.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 122.834 2.356 . . . . 0.0 114.592 -162.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.95 145.22 99.09 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 126.805 2.042 . . . . 0.0 111.902 -169.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -64.85 -21.65 64.12 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.264 1.976 . . . . 0.0 112.606 174.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -66.0 -49.68 66.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.374 1.07 . . . . 0.0 113.509 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.32 153.38 25.37 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.593 1.157 . . . . 0.0 112.949 -172.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -107.02 162.18 14.07 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 127.334 2.254 . . . . 0.0 112.365 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.6 t -154.36 153.04 30.95 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.458 1.503 . . . . 0.0 112.018 -177.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -67.74 161.77 25.3 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.888 0.875 . . . . 0.0 113.089 174.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.543 0 O-C-N 120.465 -1.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.6 tttt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -90.32 173.19 8.26 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.851 1.261 . . . . 0.0 111.125 169.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.82 160.89 34.63 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 120.855 -1.153 . . . . 0.0 115.523 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -79.48 160.8 26.41 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.551 1.141 . . . . 0.0 111.674 174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.5 tp -98.61 113.89 26.12 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.395 0.678 . . . . 0.0 111.079 172.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 p -153.22 147.23 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 125.843 1.657 . . . . 0.0 110.509 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -87.99 132.33 34.29 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.063 1.345 . . . . 0.0 110.761 170.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -56.16 -21.73 24.5 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -68.22 -34.01 75.45 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 172.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.3 t -161.18 138.02 8.68 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.8 1.182 . . . . 0.0 113.891 -169.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.46 13.16 12.0 Favored Glycine 0 CA--C 1.534 1.271 0 N-CA-C 115.853 1.101 . . . . 0.0 115.853 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 129.93 43.09 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.248 1.524 . . . . 0.0 110.096 169.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -71.82 130.0 40.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.787 1.235 . . . . 0.0 112.033 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -72.54 105.39 4.18 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.38 0.61 . . . . 0.0 110.173 170.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 p -73.31 160.21 32.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.572 1.149 . . . . 0.0 112.475 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.3 p -141.2 134.0 28.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.225 1.01 . . . . 0.0 110.373 172.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.73 71.68 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -168.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -150.42 139.47 21.06 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.414 1.006 . . . . 0.0 113.082 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.3 mt -66.68 142.63 57.36 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.871 1.268 . . . . 0.0 109.432 170.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.71 -19.57 4.95 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.466 1.031 . . . . 0.0 115.333 -176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.71 51.14 1.44 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.524 1.662 . . . . 0.0 109.601 168.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -71.83 -17.01 62.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.405 -1.434 . . . . 0.0 114.64 -169.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -55.83 -26.79 48.29 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.36 1.064 . . . . 0.0 112.822 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -66.9 -55.11 16.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.051 0.94 . . . . 0.0 111.815 169.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 78.8 m -66.14 -29.65 69.98 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.187 -0.946 . . . . 0.0 113.409 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.7 t -59.91 -48.83 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 CA-C-N 119.837 1.199 . . . . 0.0 110.747 172.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -60.98 -52.02 66.77 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -69.68 -28.33 65.77 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.158 -0.964 . . . . 0.0 112.885 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.2 t -70.12 -47.68 60.73 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.187 0.995 . . . . 0.0 112.002 172.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -67.15 -24.96 65.95 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -79.64 -19.95 47.93 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 170.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -84.32 -62.02 1.66 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.645 1.178 . . . . 0.0 112.333 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -80.44 -83.77 0.1 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.408 0.683 . . . . 0.0 111.364 -176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -155.94 156.22 34.18 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.563 1.145 . . . . 0.0 111.282 177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -54.61 -31.0 56.34 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.6 m -75.46 -3.42 33.81 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 115.286 1.588 . . . . 0.0 115.286 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.6 168.52 19.16 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -175.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -141.35 167.95 20.95 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.656 2.382 . . . . 0.0 112.238 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.27 177.83 46.46 Favored Glycine 0 CA--C 1.536 1.38 0 N-CA-C 114.946 0.738 . . . . 0.0 114.946 -178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -146.46 167.11 24.46 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.313 1.445 . . . . 0.0 112.84 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.7 t -88.38 130.02 35.26 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.281 1.032 . . . . 0.0 110.218 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -151.22 128.65 11.36 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.651 1.18 . . . . 0.0 110.783 -172.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.04 29.69 4.8 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -170.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.256 67.5 m-85 61.68 28.87 17.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.908 1.683 . . . . 0.0 114.913 -175.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -138.02 149.34 45.97 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.231 1.812 . . . . 0.0 110.287 168.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.5 m -75.64 141.73 42.75 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 120.249 -1.532 . . . . 0.0 113.309 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -130.69 121.19 25.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.36 1.864 . . . . 0.0 109.763 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.5 m -86.88 147.06 25.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.507 1.523 . . . . 0.0 112.297 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 p -127.1 158.09 37.93 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.788 1.235 . . . . 0.0 112.819 -177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 40.7 m80 58.14 32.83 22.51 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.276 1.43 . . . . 0.0 113.544 175.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.4 mt -82.48 170.54 15.13 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.015 -1.053 . . . . 0.0 111.671 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.5 167.92 1.78 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.371 1.468 . . . . 0.0 113.484 167.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.17 -24.44 59.0 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 120.542 -1.349 . . . . 0.0 113.18 169.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -77.41 13.27 1.25 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.131 1.372 . . . . 0.0 114.289 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.52 161.98 16.28 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.714 1.206 . . . . 0.0 113.431 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.5 t -127.93 137.09 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.995 1.718 . . . . 0.0 110.37 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.2 m -94.76 -157.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 124.489 1.116 . . . . 0.0 112.271 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -53.63 154.46 6.67 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 125.837 1.655 . . . . 0.0 113.972 -175.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -53.25 154.06 15.28 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.533 2.822 . . . . 0.0 115.289 -172.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.82 137.31 54.26 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.674 171.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -60.78 -22.01 72.07 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.245 2.63 . . . . 0.0 113.535 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.4 -37.79 84.73 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.488 1.515 . . . . 0.0 113.68 171.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -79.83 57.93 2.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.262 1.825 . . . . 0.0 112.511 -174.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -67.41 103.37 1.28 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.802 1.641 . . . . 0.0 112.426 -175.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.23 130.05 41.53 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.51 0.724 . . . . 0.0 112.211 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 56.59 33.69 23.14 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.44 1.896 . . . . 0.0 113.906 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 120.591 -1.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.491 0.186 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -137.0 151.62 49.18 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.817 1.647 . . . . 0.0 112.327 -168.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.67 168.74 41.52 Favored Glycine 0 CA--C 1.537 1.448 0 N-CA-C 117.57 1.788 . . . . 0.0 117.57 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.11 131.15 43.85 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.6 1.96 . . . . 0.0 113.12 -173.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.2 tp -83.16 128.11 34.2 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -144.81 150.15 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.383 1.873 . . . . 0.0 110.819 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -72.47 151.94 42.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.852 0.861 . . . . 0.0 112.368 174.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -78.01 -8.55 58.32 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -171.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -129.8 -1.96 4.75 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -169.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.2 t -158.8 142.44 15.11 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.752 1.221 . . . . 0.0 109.338 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 12.59 1.25 Allowed Glycine 0 CA--C 1.536 1.368 0 N-CA-C 116.417 1.327 . . . . 0.0 116.417 -173.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.5 m -70.4 118.66 13.49 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.092 1.446 . . . . 0.0 113.031 -176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -57.63 149.06 22.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.997 2.519 . . . . 0.0 114.432 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -87.54 105.42 17.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.479 -0.763 . . . . 0.0 110.126 168.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.7 p -73.16 148.42 43.86 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.006 1.722 . . . . 0.0 114.389 -172.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.7 m -125.54 153.17 44.03 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.797 1.639 . . . . 0.0 110.467 169.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.37 -26.82 13.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.003 1.321 . . . . 0.0 113.708 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -143.26 142.5 31.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.161 2.585 . . . . 0.0 110.037 -174.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.6 mt -91.06 148.46 22.37 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 0.0 112.632 -169.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.62 -2.21 48.82 Favored Glycine 0 CA--C 1.536 1.362 0 N-CA-C 115.155 0.822 . . . . 0.0 115.155 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -72.01 158.23 36.36 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.849 1.66 . . . . 0.0 112.159 169.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -143.69 -28.52 0.53 Allowed 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -172.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.31 -39.55 67.1 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 120.979 1.718 . . . . 0.0 113.086 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -68.88 -54.93 12.83 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.775 1.23 . . . . 0.0 112.779 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.8 t -72.83 -33.86 66.44 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -169.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.58 -46.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.391 0.996 . . . . 0.0 111.044 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 -59.5 -54.59 44.82 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.163 0.985 . . . . 0.0 112.26 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -67.36 -28.67 68.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.434 -0.791 . . . . 0.0 112.953 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 36.3 t -72.05 -46.82 55.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.252 0.621 . . . . 0.0 112.371 172.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -68.27 -23.36 64.76 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.108 -0.995 . . . . 0.0 113.193 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.4 mt -78.35 -25.35 46.34 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.912 0.885 . . . . 0.0 113.133 169.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -75.46 -49.33 19.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.103 0.865 . . . . 0.0 112.591 174.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.39 -69.72 0.83 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -170.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -169.69 158.58 7.66 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.793 1.237 . . . . 0.0 111.401 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -30.6 14.53 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.682 1.993 . . . . 0.0 115.581 -177.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -89.74 4.47 49.56 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 114.406 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.52 150.55 25.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.668 0.787 . . . . 0.0 110.883 170.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -135.59 175.51 9.53 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.811 1.244 . . . . 0.0 110.398 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.66 172.2 45.06 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 121.202 -0.936 . . . . 0.0 114.477 175.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -148.0 166.97 26.13 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.917 1.287 . . . . 0.0 112.475 177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 63.1 m -85.07 126.98 34.03 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.64 0.776 . . . . 0.0 112.875 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -148.97 136.96 20.72 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.588 2.355 . . . . 0.0 109.744 -174.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 50.83 33.99 9.52 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . 0.261 98.3 m-85 55.48 33.43 20.98 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.55 1.94 . . . . 0.0 114.654 -173.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.68 166.83 23.56 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.53 1.932 . . . . 0.0 111.826 169.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 t -84.99 132.54 34.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.501 1.12 . . . . 0.0 111.846 175.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -123.52 114.06 19.56 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.48 1.912 . . . . 0.0 109.651 -175.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.0 m -80.79 153.28 27.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.192 1.397 . . . . 0.0 112.977 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.1 p -134.48 168.96 17.99 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.887 2.075 . . . . 0.0 110.98 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.6 m80 64.38 24.21 13.17 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.02 1.328 . . . . 0.0 114.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.3 mt -75.73 136.05 40.33 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.374 1.47 . . . . 0.0 114.1 -173.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.34 162.58 26.98 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.939 0.896 . . . . 0.0 111.261 166.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -58.45 -25.69 62.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.145 -0.972 . . . . 0.0 112.382 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -76.05 -0.19 20.9 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 124.955 1.302 . . . . 0.0 114.315 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.72 173.15 6.49 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.706 1.202 . . . . 0.0 113.642 176.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.4 t -114.27 116.85 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.898 1.279 . . . . 0.0 108.871 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -128.32 -28.05 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -170.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -75.21 164.67 59.66 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.215 0.606 . . . . 0.0 111.108 168.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -60.86 151.11 79.71 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.763 2.309 . . . . 0.0 111.995 172.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 tp -72.48 117.69 61.14 Favored Pre-proline 0 CA--C 1.546 0.816 0 CA-C-N 119.168 0.895 . . . . 0.0 111.268 -172.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -77.94 -16.79 14.14 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.613 2.209 . . . . 0.0 112.56 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -65.94 -57.07 8.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.306 1.043 . . . . 0.0 112.3 -171.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -148.82 144.01 26.69 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.99 1.316 . . . . 0.0 112.847 -177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.12 154.59 40.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.807 1.243 . . . . 0.0 111.128 172.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.91 152.43 45.69 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -79.99 70.45 6.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.947 2.099 . . . . 0.0 112.051 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.611 0 O-C-N 120.921 -1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 75.1 tttt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -115.83 148.7 39.63 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.649 1.58 . . . . 0.0 111.253 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.17 169.94 41.74 Favored Glycine 0 CA--C 1.535 1.332 0 N-CA-C 115.068 0.787 . . . . 0.0 115.068 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -91.16 135.57 33.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.444 1.098 . . . . 0.0 111.169 -175.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -83.31 110.55 18.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.978 0.894 . . . . 0.0 111.483 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.1 p -126.94 156.46 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 126.192 1.797 . . . . 0.0 109.928 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.47 151.14 45.45 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -176.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -69.49 -26.76 64.71 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.12 -0.988 . . . . 0.0 113.177 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -97.58 -19.81 18.09 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -158.31 160.45 37.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.628 1.171 . . . . 0.0 112.108 -168.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.23 11.42 8.57 Favored Glycine 0 CA--C 1.541 1.681 0 O-C-N 120.331 -1.481 . . . . 0.0 116.088 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -65.47 116.83 7.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.682 1.193 . . . . 0.0 112.681 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -63.83 150.61 44.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.976 1.71 . . . . 0.0 112.395 172.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -104.58 106.2 16.6 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.999 0.92 . . . . 0.0 110.732 171.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.5 p -78.69 158.39 28.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.581 1.152 . . . . 0.0 113.872 -174.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 89.2 m -112.65 139.38 48.3 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.874 1.67 . . . . 0.0 111.082 173.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.04 63.69 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.249 1.019 . . . . 0.0 112.475 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -148.55 148.12 29.82 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.88 1.272 . . . . 0.0 112.555 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.73 158.26 36.44 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.748 0.785 . . . . 0.0 110.65 168.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -15.91 9.41 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.083 1.193 . . . . 0.0 116.083 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.42 127.36 31.6 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.804 1.802 . . . . 0.0 111.02 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -93.33 -68.46 0.8 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.018 0.927 . . . . 0.0 110.735 171.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -65.31 -20.96 66.64 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -168.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -58.36 -45.59 87.92 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.637 1.175 . . . . 0.0 111.273 169.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.2 t -81.58 -38.54 25.95 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.275 1.03 . . . . 0.0 111.457 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.94 -39.91 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 119.416 1.007 . . . . 0.0 110.93 172.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -56.22 -43.2 78.33 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.307 1.043 . . . . 0.0 112.382 173.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -69.85 -47.38 62.9 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.235 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.0 -47.13 87.1 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.708 0.803 . . . . 0.0 111.226 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -2.04 18.11 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.309 1.444 . . . . 0.0 114.457 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.98 -33.49 5.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.685 1.594 . . . . 0.0 113.299 173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -75.2 -35.65 61.5 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.551 1.54 . . . . 0.0 112.245 174.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -120.05 -173.81 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.488 2.315 . . . . 0.0 109.595 174.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.78 148.64 2.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 170.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -63.87 -19.76 65.32 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.783 -1.198 . . . . 0.0 113.531 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.1 m -71.65 -3.99 24.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.841 1.256 . . . . 0.0 114.266 174.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.26 152.93 44.44 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.693 1.133 . . . . 0.0 113.628 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -131.03 -178.07 4.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.729 1.612 . . . . 0.0 110.819 175.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 167.46 -176.27 42.29 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-N 119.998 1.272 . . . . 0.0 116.162 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -163.08 171.45 16.39 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.826 2.05 . . . . 0.0 112.372 170.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.3 m -87.23 124.34 33.21 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.946 -1.096 . . . . 0.0 113.205 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -145.84 143.47 29.64 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.852 2.461 . . . . 0.0 108.941 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 54.84 34.21 21.5 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 120.021 1.282 . . . . 0.0 113.3 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 49.79 33.61 6.56 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.513 1.925 . . . . 0.0 114.177 -170.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -146.23 160.71 41.6 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.16 1.384 . . . . 0.0 112.082 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.35 115.2 14.75 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.432 -0.792 . . . . 0.0 112.216 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 72.8 t-105 -99.92 106.14 17.93 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.878 2.071 . . . . 0.0 109.382 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.76 147.06 27.82 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.732 0.777 . . . . 0.0 111.683 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.3 p -135.69 169.73 17.08 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.914 1.685 . . . . 0.0 111.233 -174.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.0 m80 64.08 22.77 13.02 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.325 1.45 . . . . 0.0 113.949 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 mt -83.13 166.02 19.02 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.914 1.685 . . . . 0.0 113.635 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -60.54 163.17 5.58 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.036 1.734 . . . . 0.0 113.533 169.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 pm0 -61.82 -14.37 32.64 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -91.76 5.76 48.57 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 157.91 33.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 t -126.66 146.14 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.22 1.408 . . . . 0.0 112.782 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.5 m -80.47 -154.94 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.339 1.456 . . . . 0.0 113.177 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -62.04 140.81 95.87 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.79 1.636 . . . . 0.0 115.284 -170.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -67.0 161.49 42.38 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.468 2.779 . . . . 0.0 111.422 168.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.86 152.06 96.13 Favored Pre-proline 0 CA--C 1.541 0.626 0 O-C-N 121.207 -0.933 . . . . 0.0 112.311 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -60.69 -17.79 51.58 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.288 2.658 . . . . 0.0 113.069 174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -54.4 -33.25 58.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.378 1.871 . . . . 0.0 113.058 168.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -80.86 71.66 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.902 1.281 . . . . 0.0 111.87 -179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -63.38 -8.59 9.28 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 127.057 2.143 . . . . 0.0 115.556 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.2 t -62.08 132.13 51.84 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.684 1.194 . . . . 0.0 112.851 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -85.54 1.2 50.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -174.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 O-C-N 120.844 -1.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_