data_2lgb_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lgb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.4 -42.37 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.516 -0.74 . . . . 0.0 111.044 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -34.07 71.59 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -67.73 -13.27 61.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.266 1.027 . . . . 0.0 113.754 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.84 -18.66 9.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.402 1.081 . . . . 0.0 113.818 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.98 -51.71 5.67 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.045 -1.034 . . . . 0.0 112.888 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.8 p -88.89 -18.23 27.98 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 121.232 -0.918 . . . . 0.0 113.204 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.3 m -136.18 151.78 50.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.906 2.082 . . . . 0.0 109.847 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.5 pt -63.53 150.25 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -129.47 163.21 26.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -104.43 171.61 7.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.589 1.956 . . . . 0.0 113.834 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.08 -37.63 74.85 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.363 -0.836 . . . . 0.0 111.617 169.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.03 66.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -80.54 -41.01 24.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.646 0.779 . . . . 0.0 110.848 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.57 -31.49 72.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.871 0.868 . . . . 0.0 111.818 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.16 -46.29 77.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.066 -1.021 . . . . 0.0 111.453 168.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.67 -36.77 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.62 -0.675 . . . . 0.0 112.747 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -66.03 -17.09 64.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 124.148 0.979 . . . . 0.0 112.586 171.405 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -144.45 134.58 24.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.896 1.678 . . . . 0.0 110.289 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 82.9 m -127.37 150.08 49.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.534 1.134 . . . . 0.0 111.689 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.48 -126.63 28.61 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.701 1.143 . . . . 0.0 114.364 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.8 m -58.74 -28.68 66.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.44 1.096 . . . . 0.0 113.61 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -75.08 -35.18 61.82 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.258 0.935 . . . . 0.0 111.852 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.92 -41.71 86.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.177 0.991 . . . . 0.0 110.897 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.4 -50.97 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.044 0.537 . . . . 0.0 111.129 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.71 -43.28 90.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.307 0.958 . . . . 0.0 111.837 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.28 87.85 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -36.92 84.49 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.602 1.092 . . . . 0.0 111.182 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.42 -44.14 88.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.609 0.764 . . . . 0.0 111.279 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -41.03 78.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.852 0.861 . . . . 0.0 112.434 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.12 -32.28 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.453 0.701 . . . . 0.0 111.269 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.552 1.045 0 C-N-CA 124.776 1.23 . . . . 0.0 114.021 172.857 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.27 -43.24 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.189 -0.945 . . . . 0.0 109.455 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.41 18.97 0.27 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.14 1.376 . . . . 0.0 114.203 174.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -125.86 -53.26 1.54 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 111.169 169.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.22 -9.96 43.38 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -102.52 -32.49 9.91 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.496 1.043 . . . . 0.0 112.457 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 p -78.08 -26.67 48.29 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.123 1.369 . . . . 0.0 113.135 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -136.07 175.16 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.622 1.969 . . . . 0.0 110.304 172.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.26 142.52 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 122.436 1.113 . . . . 0.0 112.429 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -94.48 163.24 13.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 t -149.91 154.33 38.13 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.98 1.712 . . . . 0.0 110.19 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.11 -37.45 34.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.974 0.91 . . . . 0.0 112.32 169.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.47 -29.36 69.46 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.274 1.03 . . . . 0.0 113.079 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -82.25 -39.91 22.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.122 0.969 . . . . 0.0 110.798 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.94 -38.71 91.86 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.725 1.21 . . . . 0.0 112.457 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.77 -28.27 68.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 175.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -63.69 -33.09 74.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.414 -0.804 . . . . 0.0 112.142 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -71.12 -21.55 62.19 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.515 0.726 . . . . 0.0 112.737 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.2 m . . . . . 0 CA--C 1.551 0.998 0 C-N-CA 125.226 1.41 . . . . 0.0 113.084 168.808 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.49 134.63 41.7 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.782 1.633 . . . . 0.0 110.526 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.76 154.55 47.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.71 1.204 . . . . 0.0 111.758 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.48 -125.46 10.8 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.267 1.413 . . . . 0.0 114.942 168.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 10.1 t -57.45 -37.17 72.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.435 1.094 . . . . 0.0 113.096 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.86 -33.82 72.77 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.33 -0.856 . . . . 0.0 112.248 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 42.8 tp -70.83 -39.14 73.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.15 0.98 . . . . 0.0 111.391 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.2 -46.21 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.239 0.616 . . . . 0.0 110.899 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.67 -42.95 99.62 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.376 -0.828 . . . . 0.0 111.672 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.32 93.75 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.517 -0.739 . . . . 0.0 112.979 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -28.95 61.57 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.661 0.664 . . . . 0.0 112.12 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -44.7 86.55 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.196 -0.94 . . . . 0.0 111.084 169.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.48 -36.73 81.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.252 1.021 . . . . 0.0 113.243 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.3 -34.47 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.451 1.023 . . . . 0.0 112.409 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.307 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.56 -42.13 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.239 0.615 . . . . 0.0 110.468 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.57 20.18 0.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.005 -1.059 . . . . 0.0 113.615 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -122.27 -46.43 2.18 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.952 1.701 . . . . 0.0 111.168 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.13 -14.28 27.41 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.32 -16.88 26.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.006 0.922 . . . . 0.0 112.059 171.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -102.86 -39.89 6.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.752 2.021 . . . . 0.0 112.794 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -118.09 168.54 10.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.035 2.134 . . . . 0.0 109.747 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.58 153.57 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 120.716 -1.24 . . . . 0.0 111.176 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.3 m -136.24 155.25 50.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.274 1.03 . . . . 0.0 112.651 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -121.57 151.75 40.01 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.309 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.78 -36.61 67.55 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -65.87 -16.54 63.94 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -90.57 -24.88 20.45 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.248 1.819 . . . . 0.0 111.329 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.8 mt -81.68 -31.13 32.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.362 1.065 . . . . 0.0 112.969 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.38 -18.17 57.51 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -56.82 -33.56 66.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.663 1.185 . . . . 0.0 112.73 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -5.87 59.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.619 1.168 . . . . 0.0 113.989 -175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.1 m . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 173.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.1 mt -136.74 125.86 24.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.399 1.88 . . . . 0.0 109.439 171.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.83 143.17 51.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.041 1.336 . . . . 0.0 110.931 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.01 -125.69 20.3 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.354 0.978 . . . . 0.0 114.023 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.9 m -59.13 -29.37 67.36 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -71.32 -35.16 71.14 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.37 0.987 . . . . 0.0 111.661 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.09 -45.25 74.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.183 1.393 . . . . 0.0 110.666 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.42 -43.35 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 111.059 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.04 -41.52 96.74 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.989 -1.07 . . . . 0.0 111.911 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.84 84.77 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -28.75 65.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.152 0.887 . . . . 0.0 112.156 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.3 -49.12 68.14 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.242 -0.911 . . . . 0.0 111.274 168.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.01 -40.33 97.43 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.246 1.019 . . . . 0.0 112.976 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.81 -29.42 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.219 0.918 . . . . 0.0 112.512 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 CA--C 1.548 0.872 0 C-N-CA 124.425 1.09 . . . . 0.0 113.777 178.016 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.2 -42.98 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.146 0.578 . . . . 0.0 112.053 -173.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.95 -35.08 68.68 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.66 0.784 . . . . 0.0 112.891 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -63.01 -29.48 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.943 0.897 . . . . 0.0 113.179 -173.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -112.66 -19.83 11.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -92.52 -37.71 12.35 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.192 1.36 . . . . 0.0 113.858 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.1 p -107.92 -31.64 7.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.342 1.057 . . . . 0.0 111.992 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -98.36 161.31 13.75 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.561 1.544 . . . . 0.0 109.952 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -88.58 155.18 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -145.07 164.4 31.33 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -174.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -118.44 161.92 19.19 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.899 2.08 . . . . 0.0 113.114 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -54.69 -38.26 66.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.094 0.957 . . . . 0.0 112.857 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -70.82 -17.11 62.76 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -86.57 -37.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.027 0.931 . . . . 0.0 110.886 169.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.99 -34.63 78.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.412 0.685 . . . . 0.0 111.495 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.16 -29.19 67.26 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -68.89 -35.28 76.67 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.197 -0.939 . . . . 0.0 112.179 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.22 -18.83 63.18 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.643 1.177 . . . . 0.0 112.766 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 127.109 2.164 . . . . 0.0 112.901 173.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 73.4 mt -137.24 134.25 35.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.026 2.13 . . . . 0.0 108.722 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.06 152.8 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.275 0.63 . . . . 0.0 112.171 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.86 -130.75 36.05 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.11 0.862 . . . . 0.0 112.836 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 16.5 m -56.67 -28.36 60.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -73.56 -33.71 64.81 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.598 1.09 . . . . 0.0 112.117 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tt -68.2 -44.33 76.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 109.889 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.28 -44.84 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.446 0.698 . . . . 0.0 111.151 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.29 -46.21 86.5 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.166 -0.959 . . . . 0.0 111.554 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.04 90.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.95 -35.91 67.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.098 0.863 . . . . 0.0 111.591 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.82 -40.18 91.59 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.209 -0.932 . . . . 0.0 111.582 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 47.2 mt -67.87 -42.73 80.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.594 0.633 . . . . 0.0 112.486 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.84 -31.4 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.254 0.933 . . . . 0.0 112.132 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 27.8 m . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 174.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.29 -41.38 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -169.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.5 -28.89 65.81 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -67.86 -31.43 71.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.585 -0.697 . . . . 0.0 111.988 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.99 -24.22 10.49 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.84 -49.42 6.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.345 0.975 . . . . 0.0 113.092 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.8 p -94.5 -37.99 11.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.837 0.855 . . . . 0.0 111.727 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -95.16 -174.92 3.36 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.155 1.382 . . . . 0.0 110.068 167.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.15 153.4 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.474 1.11 . . . . 0.0 111.886 170.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.6 p -137.12 157.79 45.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.972 0.909 . . . . 0.0 113.222 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -103.73 161.86 13.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.26 1.824 . . . . 0.0 112.941 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.82 -37.73 69.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.083 0.953 . . . . 0.0 112.384 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -72.0 -17.8 62.02 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.99 -38.82 17.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.068 0.947 . . . . 0.0 111.012 171.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.36 -34.39 73.79 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.769 0.828 . . . . 0.0 111.507 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.37 -30.93 71.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.308 1.043 . . . . 0.0 113.232 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.48 -27.52 61.44 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.708 -1.245 . . . . 0.0 112.06 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.22 -15.79 61.94 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.241 -0.912 . . . . 0.0 112.747 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 m . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 125.865 1.666 . . . . 0.0 113.639 173.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 CA--C 1.537 0.454 0 CA-C-O 121.07 0.462 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 21.9 mt -140.58 125.77 18.61 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.504 1.922 . . . . 0.0 108.705 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.3 t -138.15 147.33 43.78 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.65 -123.93 24.9 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.998 0.808 . . . . 0.0 113.068 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 24.9 p -56.71 -29.33 62.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -75.25 -32.13 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.452 1.024 . . . . 0.0 111.812 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.33 -43.14 70.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.749 1.219 . . . . 0.0 110.135 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.3 -47.54 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.341 0.657 . . . . 0.0 110.979 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.14 -40.13 84.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.02 -1.05 . . . . 0.0 111.994 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.65 82.77 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.59 -29.84 65.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.956 1.253 . . . . 0.0 111.648 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.99 -36.41 79.98 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.091 -1.006 . . . . 0.0 112.119 168.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 53.0 mt -68.36 -32.9 73.31 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.727 -1.233 . . . . 0.0 112.101 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.96 -40.83 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.624 0.77 . . . . 0.0 112.401 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 70.1 m . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -170.05 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.61 -45.03 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.298 0.499 . . . . 0.0 110.431 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.68 -41.51 86.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.28 1.032 . . . . 0.0 111.85 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -61.53 -20.49 63.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.339 1.455 . . . . 0.0 113.805 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.09 -3.53 13.96 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -106.92 -46.69 3.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.61 1.095 . . . . 0.0 113.495 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -94.48 -33.53 13.05 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.935 0.788 . . . . 0.0 111.704 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 p -111.47 172.62 6.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.556 1.942 . . . . 0.0 110.345 168.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 pt -93.64 151.11 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.048 0.939 . . . . 0.0 113.037 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -142.22 169.86 16.8 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.239 1.016 . . . . 0.0 112.003 169.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 p -129.38 -179.3 5.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.027 1.731 . . . . 0.0 112.539 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.12 -33.51 52.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.296 1.038 . . . . 0.0 112.637 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -71.08 -17.65 62.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.458 1.103 . . . . 0.0 113.415 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -94.48 -35.95 12.08 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.034 0.933 . . . . 0.0 111.676 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.83 -31.75 72.88 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.372 -0.83 . . . . 0.0 112.013 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.44 -5.82 51.21 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 168.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -95.57 -45.34 7.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.131 -0.981 . . . . 0.0 111.819 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.27 -26.84 68.67 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 CA--C 1.546 0.805 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.841 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 78.1 mt -142.99 144.06 32.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.716 2.006 . . . . 0.0 110.344 169.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.67 153.91 46.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.525 1.13 . . . . 0.0 112.769 -170.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.78 -132.02 36.05 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.971 1.272 . . . . 0.0 114.529 169.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.8 m -57.69 -29.28 64.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.209 1.004 . . . . 0.0 113.417 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.6 -28.41 60.89 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.298 -0.877 . . . . 0.0 112.868 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.92 -43.68 71.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.426 0.69 . . . . 0.0 109.99 170.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.07 -44.09 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.273 0.629 . . . . 0.0 111.455 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.14 -33.98 74.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 112.114 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.38 88.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.292 -0.88 . . . . 0.0 112.395 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.25 -48.32 80.79 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.629 1.104 . . . . 0.0 109.572 169.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -67.35 -8.96 36.63 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -107.53 -35.36 6.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.029 1.332 . . . . 0.0 113.433 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.37 -38.65 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.251 1.02 . . . . 0.0 112.052 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 25.9 t . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 125.361 1.464 . . . . 0.0 112.24 174.765 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -71.88 -38.94 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.008 0.523 . . . . 0.0 112.084 -170.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.47 -39.47 73.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.467 1.107 . . . . 0.0 112.75 -173.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.08 -33.16 73.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.654 1.182 . . . . 0.0 113.351 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.45 -8.27 15.62 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.37 -39.65 12.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.947 0.899 . . . . 0.0 111.84 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.2 p -85.01 -20.85 29.85 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -141.97 161.55 37.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.756 2.022 . . . . 0.0 110.897 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 pt -70.48 153.15 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.337 0.655 . . . . 0.0 112.296 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.7 m -135.22 158.52 44.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.763 1.225 . . . . 0.0 113.565 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -105.94 159.65 15.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.642 1.577 . . . . 0.0 111.575 170.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -54.04 -33.76 58.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 112.93 -173.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.716 0.806 . . . . 0.0 113.156 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -73.28 -34.29 65.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.823 0.849 . . . . 0.0 110.902 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.48 -39.18 71.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.855 0.862 . . . . 0.0 111.112 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -62.05 -35.79 79.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.783 0.833 . . . . 0.0 112.129 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.41 -29.21 67.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.127 0.971 . . . . 0.0 113.353 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.9 -5.8 54.55 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 126.059 1.743 . . . . 0.0 112.996 177.726 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 121.209 0.528 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.0 109.72 15.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.646 1.579 . . . . 0.0 109.518 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 81.4 m -122.18 140.22 52.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.249 1.419 . . . . 0.0 110.847 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.71 -120.62 12.42 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.123 0.868 . . . . 0.0 113.135 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 26.3 m -59.28 -25.52 64.18 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -74.74 -29.52 61.19 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.798 1.181 . . . . 0.0 112.053 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -47.86 70.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.751 1.221 . . . . 0.0 109.824 171.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.45 -49.69 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 111.032 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.98 -41.54 96.66 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.61 83.54 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.11 -32.33 70.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.017 1.28 . . . . 0.0 111.888 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.27 -34.05 72.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.037 0.835 . . . . 0.0 112.736 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -69.63 -37.45 76.82 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.072 -1.017 . . . . 0.0 112.61 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.28 -45.31 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.575 0.625 . . . . 0.0 111.973 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -171.079 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.2 mm . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -43.76 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.871 0.869 . . . . 0.0 112.253 -171.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.52 -46.0 77.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.552 1.141 . . . . 0.0 111.867 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -66.87 -36.93 83.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.54 -15.6 21.55 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 t -86.79 -38.82 16.5 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.308 -0.87 . . . . 0.0 111.544 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.4 p -86.7 -19.18 29.58 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -143.86 160.71 40.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.517 1.927 . . . . 0.0 111.359 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.21 147.28 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.139 -0.975 . . . . 0.0 112.711 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -119.56 153.36 35.52 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.696 1.198 . . . . 0.0 113.936 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 m -100.5 163.21 12.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.27 1.828 . . . . 0.0 111.991 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.34 -40.85 65.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.702 0.801 . . . . 0.0 111.774 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.91 -20.54 65.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.476 1.11 . . . . 0.0 113.802 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -85.87 -46.92 10.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.97 0.908 . . . . 0.0 110.795 172.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.34 -31.84 73.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.191 0.996 . . . . 0.0 112.813 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.18 -16.05 61.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.299 1.04 . . . . 0.0 113.387 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -87.26 -29.64 21.5 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.986 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -73.88 -21.56 60.04 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -172.264 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.121 0.486 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 74.2 mt -140.92 126.58 19.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.312 1.845 . . . . 0.0 109.342 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.19 145.44 43.69 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.553 0.741 . . . . 0.0 111.236 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.57 -127.25 33.62 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.216 0.912 . . . . 0.0 113.219 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.1 p -56.06 -31.43 63.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 114.192 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -71.09 -33.82 70.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.425 1.012 . . . . 0.0 111.883 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.72 -43.37 69.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.506 1.122 . . . . 0.0 110.609 174.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.01 -45.61 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.443 0.697 . . . . 0.0 111.195 174.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.4 -42.07 99.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.476 -0.765 . . . . 0.0 111.616 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.51 93.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.93 -29.94 68.3 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.666 -1.272 . . . . 0.0 112.282 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.43 -19.68 62.96 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.09 -40.13 14.03 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.128 0.971 . . . . 0.0 112.15 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.03 -41.67 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.926 0.89 . . . . 0.0 112.104 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 34.2 t . . . . . 0 CA--C 1.549 0.904 0 C-N-CA 124.886 1.274 . . . . 0.0 113.339 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.28 -50.08 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 122.861 0.464 . . . . 0.0 110.469 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -57.98 -39.62 78.64 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.943 0.897 . . . . 0.0 112.05 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.78 -25.29 64.79 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.66 -18.0 12.88 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 171.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -97.13 -36.79 10.36 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.2 p -109.25 -32.15 7.3 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.618 1.167 . . . . 0.0 111.64 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -93.54 155.33 17.38 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.459 1.504 . . . . 0.0 109.318 166.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -73.55 144.72 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 120.978 -1.076 . . . . 0.0 112.87 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -110.15 148.95 30.8 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.573 1.949 . . . . 0.0 112.653 -169.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -154.0 157.18 38.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.683 1.593 . . . . 0.0 111.447 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.48 -45.77 13.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.3 1.04 . . . . 0.0 112.467 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.52 -3.75 19.54 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -97.7 -48.39 5.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.357 1.463 . . . . 0.0 110.391 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.52 -29.25 69.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.18 -15.41 14.63 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.021 1.328 . . . . 0.0 114.266 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -89.39 -50.4 6.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 110.92 174.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -70.69 -5.53 30.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.033 1.333 . . . . 0.0 114.577 -169.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 174.342 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 99.5 mt -137.45 135.77 37.17 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.427 2.291 . . . . 0.0 109.351 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 1.7 t -137.56 153.83 49.9 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.583 0.753 . . . . 0.0 112.398 -172.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.95 -130.78 36.47 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 123.968 0.794 . . . . 0.0 113.876 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 30.9 p -58.54 -27.97 65.04 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -73.12 -32.89 65.21 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.793 1.179 . . . . 0.0 112.104 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.53 -46.86 74.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.607 1.163 . . . . 0.0 110.206 171.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.71 -42.47 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.377 0.671 . . . . 0.0 111.852 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -39.7 93.99 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.006 -1.059 . . . . 0.0 111.776 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.21 87.27 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.11 -30.29 70.27 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.455 1.48 . . . . 0.0 112.21 176.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.0 -42.17 81.15 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.737 -0.602 . . . . 0.0 112.045 170.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 73.4 mt -71.35 -35.45 71.17 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.07 -1.019 . . . . 0.0 113.016 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.72 -33.85 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.715 1.206 . . . . 0.0 111.874 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 58.3 m . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -174.296 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.69 -38.85 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.278 -0.889 . . . . 0.0 110.88 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -74.61 1.16 12.8 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.574 1.15 . . . . 0.0 114.075 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.82 -40.78 8.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.604 1.162 . . . . 0.0 112.054 170.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -114.42 -16.98 11.87 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.48 -50.97 6.84 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.865 1.211 . . . . 0.0 110.816 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 p -85.25 -13.11 50.84 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.426 1.49 . . . . 0.0 114.033 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.8 169.63 17.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.953 1.701 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.5 138.33 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 0.0 110.898 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.93 163.24 26.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.2 1.4 . . . . 0.0 113.068 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -132.75 153.98 50.67 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.72 2.008 . . . . 0.0 110.436 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.7 -32.93 45.23 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.043 0.937 . . . . 0.0 113.342 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.62 -25.01 65.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.33 1.452 . . . . 0.0 113.876 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -87.55 -33.09 19.05 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.805 1.642 . . . . 0.0 111.788 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.56 -25.62 65.0 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.92 -22.53 5.68 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.927 1.291 . . . . 0.0 114.202 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -60.99 -42.12 97.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.494 1.118 . . . . 0.0 112.379 175.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -83.36 -10.89 58.18 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 126.008 1.723 . . . . 0.0 115.0 176.591 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 121.007 0.432 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 64.0 mt -140.19 120.42 13.86 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.244 1.818 . . . . 0.0 109.422 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.0 146.24 48.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.88 0.872 . . . . 0.0 111.574 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.46 -126.02 27.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.126 0.87 . . . . 0.0 113.178 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -57.81 -29.26 64.76 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -71.49 -34.07 69.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.645 1.111 . . . . 0.0 111.673 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.51 -46.37 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.312 1.045 . . . . 0.0 110.198 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.83 -46.66 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.995 0.918 . . . . 0.0 111.073 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.44 -36.65 78.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.619 0.768 . . . . 0.0 111.947 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.71 85.17 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.22 0.918 . . . . 0.0 113.085 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.25 -48.58 79.29 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 109.643 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -67.91 -21.42 65.13 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.08 -43.06 22.46 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.124 -0.985 . . . . 0.0 112.251 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.1 p -84.46 -31.97 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 125.326 1.451 . . . . 0.0 113.839 -179.706 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 120.568 0.223 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.84 -44.79 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.266 1.426 . . . . 0.0 111.89 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -58.2 -30.7 66.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.626 1.171 . . . . 0.0 113.517 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -73.15 -8.17 54.58 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.765 1.626 . . . . 0.0 114.561 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 m -125.57 -17.08 5.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.073 1.749 . . . . 0.0 113.609 168.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.43 -33.75 17.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.392 1.077 . . . . 0.0 112.806 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.1 p -74.62 -32.44 62.31 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 120.764 -1.21 . . . . 0.0 113.091 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.8 p -157.79 165.41 35.39 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.284 1.834 . . . . 0.0 111.017 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 pt -58.28 143.17 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.633 0.773 . . . . 0.0 111.976 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.3 p -128.98 178.05 6.67 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -168.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -85.05 151.36 24.21 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.513 0.725 . . . . 0.0 112.687 -173.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.88 -33.28 73.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.431 169.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -65.2 -27.9 69.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.259 1.024 . . . . 0.0 113.225 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.77 -45.19 62.43 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.499 -0.751 . . . . 0.0 110.101 173.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.44 -31.57 72.4 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.335 -0.853 . . . . 0.0 112.61 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.69 -11.59 60.69 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.079 0.952 . . . . 0.0 113.406 169.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -97.18 -30.22 13.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.421 1.488 . . . . 0.0 112.435 174.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -77.14 -23.98 51.66 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.873 0.76 . . . . 0.0 112.64 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 CA--C 1.547 0.863 0 C-N-CA 123.999 0.919 . . . . 0.0 112.883 171.152 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 121.127 0.489 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.0 89.01 4.4 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.727 1.211 . . . . 0.0 109.002 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.3 m -116.91 142.66 46.65 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.121 1.768 . . . . 0.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.88 -123.77 18.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.975 0.798 . . . . 0.0 113.726 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.3 m -56.31 -30.97 63.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -71.68 -32.45 67.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.44 1.018 . . . . 0.0 112.434 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.21 -41.11 70.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.206 0.603 . . . . 0.0 111.867 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.78 -47.64 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.499 0.72 . . . . 0.0 110.11 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.21 -44.52 92.26 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.344 0.658 . . . . 0.0 111.73 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.74 99.91 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.25 3.8 pp -72.25 -30.98 65.38 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.077 1.308 . . . . 0.0 112.026 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -70.63 -15.22 62.72 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 74.1 mt -94.91 -39.92 9.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.636 1.174 . . . . 0.0 112.778 172.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.4 t -84.13 -35.51 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.984 0.914 . . . . 0.0 112.251 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 124.894 1.278 . . . . 0.0 113.149 175.834 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.4 mm . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.567 0.222 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.4 -46.34 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.569 0.748 . . . . 0.0 112.064 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -67.83 -29.76 68.99 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.041 -1.037 . . . . 0.0 113.288 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -68.7 -27.79 66.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.216 1.007 . . . . 0.0 113.656 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 t -118.41 -18.76 9.1 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -97.44 -51.8 4.02 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.769 1.168 . . . . 0.0 112.803 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 p -90.71 -5.87 55.19 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.276 1.03 . . . . 0.0 113.723 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -139.36 162.47 34.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.083 2.153 . . . . 0.0 110.21 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.84 154.58 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.33 165.59 26.79 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 113.111 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -138.08 169.1 18.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.556 1.942 . . . . 0.0 110.444 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.1 mt -55.25 -36.26 65.87 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 111.535 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -64.89 -31.59 72.9 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -83.99 -35.23 24.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.671 1.188 . . . . 0.0 110.989 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.56 -35.83 81.78 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.623 0.769 . . . . 0.0 111.289 170.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -68.36 -26.39 65.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.938 0.895 . . . . 0.0 113.008 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.44 -24.16 64.7 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.076 -1.015 . . . . 0.0 112.803 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -78.12 -19.88 53.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.195 0.998 . . . . 0.0 113.527 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 112.849 174.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 CA--C 1.545 0.751 0 CA-C-O 120.525 0.202 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -132.1 143.78 50.26 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.929 2.092 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.04 156.94 47.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.508 0.723 . . . . 0.0 112.077 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.2 -131.45 37.78 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.656 1.122 . . . . 0.0 114.077 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -55.99 -32.26 63.78 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.576 1.15 . . . . 0.0 113.753 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.69 -33.28 64.36 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.267 0.94 . . . . 0.0 112.843 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -46.87 73.45 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.182 0.993 . . . . 0.0 109.577 171.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -47.52 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.216 1.007 . . . . 0.0 111.514 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.6 -46.05 87.57 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.41 -0.806 . . . . 0.0 111.989 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -41.94 77.5 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.415 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -56.92 -43.31 81.3 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.409 1.004 . . . . 0.0 112.635 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.03 -34.21 77.5 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.941 0.897 . . . . 0.0 112.693 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 63.6 t -74.12 -36.29 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.658 0.783 . . . . 0.0 112.789 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.325 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.63 -42.08 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 110.471 -176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -78.16 12.46 1.85 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -122.64 -30.23 3.92 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.076 1.75 . . . . 0.0 112.384 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -113.95 -19.98 11.22 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.7 t -97.57 -44.38 6.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.974 1.261 . . . . 0.0 112.077 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.1 p -74.09 -23.72 59.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.483 1.113 . . . . 0.0 113.44 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -148.05 167.57 24.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.458 1.903 . . . . 0.0 110.497 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 pt -61.21 146.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.797 . . . . 0.0 112.941 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -142.97 174.53 10.59 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.949 . . . . 0.0 111.562 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -125.67 157.72 36.57 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.261 1.424 . . . . 0.0 113.034 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -54.24 -36.39 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.105 1.362 . . . . 0.0 111.718 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.18 -18.62 64.65 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -87.89 -31.9 19.24 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.649 1.18 . . . . 0.0 111.702 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.6 -25.63 68.32 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.043 0.838 . . . . 0.0 113.111 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.78 -24.67 62.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 170.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.98 -26.28 65.84 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.054 -1.029 . . . . 0.0 112.802 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -105.77 -8.78 17.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 -171.509 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 120.702 0.287 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 58.9 mt -141.89 138.02 31.78 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.059 2.144 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.73 156.35 45.61 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.558 0.743 . . . . 0.0 112.409 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.03 -134.17 36.47 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.093 0.854 . . . . 0.0 114.006 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.7 m -59.91 -28.16 67.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -70.88 -36.28 72.7 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.455 1.025 . . . . 0.0 111.757 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 46.0 tp -70.46 -39.7 74.11 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.209 1.004 . . . . 0.0 111.883 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.5 -48.32 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.79 0.436 . . . . 0.0 110.602 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.26 -42.57 81.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.618 -0.676 . . . . 0.0 111.337 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.8 84.88 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.75 -31.15 67.87 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.195 1.361 . . . . 0.0 112.016 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.32 -46.54 69.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.01 0.524 . . . . 0.0 111.688 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.04 -40.73 95.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.594 1.158 . . . . 0.0 111.856 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.73 -35.82 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.202 1.001 . . . . 0.0 111.548 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -178.5 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 tt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.4 -44.51 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.704 0.802 . . . . 0.0 110.988 -173.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -58.46 -22.23 53.98 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.805 1.242 . . . . 0.0 113.146 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -87.93 -22.79 24.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.332 1.453 . . . . 0.0 113.137 -174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.44 -10.04 4.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.68 -37.64 11.73 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.979 1.312 . . . . 0.0 113.794 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 p -99.64 -59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.772 1.229 . . . . 0.0 109.638 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -67.0 151.64 47.27 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.604 1.161 . . . . 0.0 110.93 168.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 pt -68.68 156.0 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.693 0.797 . . . . 0.0 113.009 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.69 150.19 47.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.988 1.315 . . . . 0.0 113.898 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -147.62 156.06 42.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.406 1.882 . . . . 0.0 111.304 -176.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.34 -32.47 62.54 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.786 0.834 . . . . 0.0 112.297 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -65.32 -29.65 70.42 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.366 1.067 . . . . 0.0 113.17 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.02 -44.89 14.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.72 -38.7 85.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.755 1.222 . . . . 0.0 112.816 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -64.98 -26.25 68.22 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.06 -32.23 68.87 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.235 -0.916 . . . . 0.0 112.213 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -72.4 -18.31 61.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.348 -0.845 . . . . 0.0 112.673 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.6 m . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 22.5 tp -149.69 143.38 25.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.491 1.516 . . . . 0.0 112.19 -166.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 33.2 m -131.29 161.85 31.37 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 54.15 -140.19 36.09 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 125.513 1.53 . . . . 0.0 115.573 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.0 m -57.85 -29.23 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.342 1.057 . . . . 0.0 113.397 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.52 -28.85 62.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.321 -0.862 . . . . 0.0 112.834 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.2 -36.08 71.78 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.629 0.772 . . . . 0.0 111.327 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.37 -43.23 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.04 0.536 . . . . 0.0 110.66 170.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.64 -39.24 79.97 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.02 -1.05 . . . . 0.0 111.677 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.06 89.31 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.72 -35.64 77.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.867 1.212 . . . . 0.0 111.452 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.53 -35.71 81.37 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.506 0.722 . . . . 0.0 112.4 170.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.94 -35.19 72.11 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.944 -1.097 . . . . 0.0 112.351 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.37 -37.19 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.731 0.812 . . . . 0.0 112.292 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -172.457 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.9 t -63.45 -45.2 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.963 0.505 . . . . 0.0 110.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.67 -38.88 92.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.926 0.891 . . . . 0.0 112.408 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -61.04 -32.49 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.209 1.004 . . . . 0.0 113.069 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -100.88 -25.6 14.04 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -94.93 -31.39 13.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.427 1.467 . . . . 0.0 114.652 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -111.6 -35.71 5.7 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.102 0.864 . . . . 0.0 112.061 171.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 m -95.11 169.63 9.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.545 1.138 . . . . 0.0 110.493 167.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -87.14 152.68 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.725 -0.61 . . . . 0.0 110.513 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -131.33 -169.89 2.27 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.74 1.216 . . . . 0.0 112.427 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -133.75 156.01 48.74 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.98 1.712 . . . . 0.0 111.197 -173.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.67 -35.26 74.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.834 -0.541 . . . . 0.0 110.76 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.49 -35.67 80.08 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.185 -0.947 . . . . 0.0 112.573 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -74.84 -40.92 60.75 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.394 -0.816 . . . . 0.0 111.101 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.9 -34.46 74.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.07 0.948 . . . . 0.0 111.915 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.04 -40.92 87.29 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.198 -0.939 . . . . 0.0 112.227 170.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -71.02 -19.63 62.49 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.34 -16.59 62.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.701 1.137 . . . . 0.0 113.084 170.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 124.338 1.055 . . . . 0.0 112.472 175.32 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 2.7 p80 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.5 mt -147.11 147.44 30.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.323 2.249 . . . . 0.0 110.739 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 83.5 m -129.91 153.05 48.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.011 1.324 . . . . 0.0 111.875 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.06 -130.32 28.13 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.818 1.199 . . . . 0.0 114.761 169.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -56.96 -30.05 63.74 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -75.85 -31.53 59.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.202 0.91 . . . . 0.0 112.848 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -45.26 78.43 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 109.552 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.07 -45.55 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.691 0.797 . . . . 0.0 111.384 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.95 -45.34 86.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.217 -0.927 . . . . 0.0 111.278 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.32 83.54 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -36.12 77.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.515 1.052 . . . . 0.0 111.137 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -68.36 -42.41 79.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.813 0.445 . . . . 0.0 112.156 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.2 -44.55 88.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.481 1.112 . . . . 0.0 112.259 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.66 -31.78 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.818 0.735 . . . . 0.0 111.059 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.556 1.189 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.109 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -72.74 -56.92 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.602 0.361 . . . . 0.0 111.661 -169.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -35.18 77.05 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.41 -0.806 . . . . 0.0 112.839 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.34 -26.91 66.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 113.056 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.9 t -106.24 -23.95 12.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.899 1.279 . . . . 0.0 113.777 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -101.82 -28.52 12.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -169.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -116.83 -36.91 3.74 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.999 0.818 . . . . 0.0 112.168 170.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -84.31 156.92 21.7 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.642 -0.661 . . . . 0.0 109.3 166.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.14 139.77 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-O 123.075 1.417 . . . . 0.0 113.077 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -105.55 152.19 23.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 127.117 2.167 . . . . 0.0 111.387 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.6 p -148.38 163.62 36.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.845 1.258 . . . . 0.0 111.566 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.84 -35.15 75.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 122.023 -0.423 . . . . 0.0 111.953 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -62.69 -36.96 84.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.655 -0.653 . . . . 0.0 112.306 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -76.37 -44.09 37.91 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.667 -0.646 . . . . 0.0 110.904 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.65 -34.0 73.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.998 0.919 . . . . 0.0 112.104 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.12 -42.35 72.75 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.07 -1.019 . . . . 0.0 112.014 171.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.92 -31.24 72.38 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.42 -0.8 . . . . 0.0 113.15 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.92 -28.11 69.3 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.324 0.965 . . . . 0.0 112.733 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 124.419 1.088 . . . . 0.0 112.609 173.569 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.38 152.64 45.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.141 1.776 . . . . 0.0 110.247 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.01 43.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.419 1.087 . . . . 0.0 111.745 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.09 -133.69 37.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.63 1.109 . . . . 0.0 114.861 169.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -61.39 -28.22 69.08 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -72.77 -36.61 67.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.196 0.907 . . . . 0.0 111.645 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.5 -48.34 79.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.534 1.134 . . . . 0.0 110.202 170.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.75 -45.0 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.44 0.696 . . . . 0.0 111.515 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.341 0.973 . . . . 0.0 111.866 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.13 -45.57 84.54 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.564 -0.71 . . . . 0.0 111.838 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -32.56 74.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.269 -0.895 . . . . 0.0 111.714 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -46.83 87.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.378 1.071 . . . . 0.0 111.7 173.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.12 -37.7 57.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.347 1.059 . . . . 0.0 112.318 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.98 -27.37 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.545 0.738 . . . . 0.0 111.525 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 174.715 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.289 -0.264 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.88 -46.15 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.188 0.595 . . . . 0.0 112.489 -169.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -60.01 -34.31 73.17 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.896 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -60.07 -30.72 69.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.346 1.058 . . . . 0.0 113.059 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -107.32 -17.87 14.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.85 -37.45 9.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -172.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.5 p -106.08 -36.9 6.79 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.238 1.015 . . . . 0.0 111.212 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 m -94.88 178.75 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.773 1.629 . . . . 0.0 109.576 166.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -107.58 159.05 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.105 -0.997 . . . . 0.0 113.475 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 m -137.56 154.57 49.78 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.375 1.47 . . . . 0.0 112.566 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -121.87 177.63 5.21 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.373 1.469 . . . . 0.0 111.042 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.78 -28.78 66.27 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.685 1.194 . . . . 0.0 111.89 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.01 -41.03 82.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.175 0.99 . . . . 0.0 112.543 172.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.7 -39.48 36.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.728 -0.608 . . . . 0.0 111.44 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.37 -19.87 66.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.619 0.768 . . . . 0.0 112.657 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -97.16 -2.42 43.01 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -87.4 -35.88 18.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.778 -1.201 . . . . 0.0 111.551 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -67.35 -23.84 65.65 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 170.63 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 69.0 mt -138.96 131.42 28.64 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.577 2.351 . . . . 0.0 109.559 171.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 73.9 m -129.16 143.96 51.04 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.698 1.199 . . . . 0.0 111.544 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.26 -127.23 25.17 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.706 1.146 . . . . 0.0 113.985 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 22.2 m -57.59 -28.03 63.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.668 1.187 . . . . 0.0 114.182 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -70.37 -36.36 74.09 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.004 0.82 . . . . 0.0 111.623 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.18 -43.42 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.346 1.059 . . . . 0.0 110.608 174.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.7 t -63.24 -43.9 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.586 -0.696 . . . . 0.0 111.631 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.92 -44.48 97.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.56 92.14 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -34.15 72.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.383 0.992 . . . . 0.0 111.391 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -37.15 78.77 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.99 -34.26 76.2 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.374 0.988 . . . . 0.0 112.407 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -79.05 -44.24 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.151 0.981 . . . . 0.0 112.271 177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 9.8 t . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.012 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.11 -41.11 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.207 1.403 . . . . 0.0 112.096 -174.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.47 -30.43 53.0 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.208 1.403 . . . . 0.0 113.689 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.41 -23.25 65.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.812 1.245 . . . . 0.0 113.138 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.19 -10.15 5.87 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 172.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 t -89.84 -33.77 16.36 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.5 1.045 . . . . 0.0 113.391 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.6 p -113.48 -34.31 5.62 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.475 1.11 . . . . 0.0 111.622 173.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -97.66 -171.95 2.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.593 1.557 . . . . 0.0 109.725 166.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.59 153.2 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.303 1.041 . . . . 0.0 112.2 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.26 172.08 8.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.8 1.64 . . . . 0.0 112.683 -171.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 t -146.07 171.93 14.16 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.424 1.49 . . . . 0.0 110.681 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.5 mt -51.65 -37.23 49.43 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.522 1.529 . . . . 0.0 111.996 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -68.28 -14.29 62.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.29 1.436 . . . . 0.0 114.001 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -110.66 -37.42 5.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.454 1.502 . . . . 0.0 112.227 173.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.3 -30.69 68.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.675 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.02 -30.31 68.66 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.291 -0.881 . . . . 0.0 112.925 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -81.58 -29.49 33.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.317 1.047 . . . . 0.0 113.049 -174.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -68.34 -9.86 50.88 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.2 m . . . . . 0 CA--C 1.545 0.756 0 C-N-CA 124.833 1.253 . . . . 0.0 112.787 169.555 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.9 mt -133.9 134.38 42.6 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.039 2.136 . . . . 0.0 108.965 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.6 t -137.19 154.27 50.24 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -173.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.74 -132.03 49.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.638 1.113 . . . . 0.0 113.074 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -55.59 -31.36 62.16 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.315 1.046 . . . . 0.0 113.657 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.44 -31.43 65.45 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.391 0.996 . . . . 0.0 112.867 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.29 -40.51 58.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.406 1.082 . . . . 0.0 110.84 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.39 -43.52 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.145 0.578 . . . . 0.0 110.531 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.95 -40.37 95.32 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.175 -0.953 . . . . 0.0 111.534 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.01 0.823 . . . . 0.0 112.895 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.46 -39.44 85.34 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.648 1.113 . . . . 0.0 111.345 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -62.44 -40.29 96.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.14 -37.29 83.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.064 -1.022 . . . . 0.0 112.525 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.17 -44.74 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.239 0.616 . . . . 0.0 112.389 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.793 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.348 9.3 tp . . . . . 0 N--CA 1.484 1.238 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.71 -39.48 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.32 -1.488 . . . . 0.0 111.943 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -69.16 -7.64 38.14 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -85.73 -26.42 25.88 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.278 -0.889 . . . . 0.0 112.799 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -134.06 -18.95 2.02 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -169.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -90.59 -43.43 10.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.847 1.203 . . . . 0.0 112.297 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -77.71 -27.68 50.72 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -142.88 154.71 44.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.716 2.006 . . . . 0.0 110.65 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.78 150.1 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.883 0.873 . . . . 0.0 113.072 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -145.42 170.45 16.33 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.063 0.945 . . . . 0.0 112.317 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 m -126.04 155.93 40.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.648 1.179 . . . . 0.0 112.533 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.74 -36.11 71.62 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.648 -0.658 . . . . 0.0 112.589 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.72 -32.35 67.32 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.656 1.182 . . . . 0.0 113.393 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -84.78 -34.75 22.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.252 1.021 . . . . 0.0 111.857 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.85 -26.76 67.06 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 112.339 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.12 -22.36 50.55 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.007 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.76 -23.79 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.891 -1.13 . . . . 0.0 113.322 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -108.22 1.98 22.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.115 1.366 . . . . 0.0 113.512 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 p . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 124.51 1.124 . . . . 0.0 113.327 -179.207 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.29 132.55 54.05 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.569 1.147 . . . . 0.0 109.592 172.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -142.2 149.24 39.42 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.979 0.911 . . . . 0.0 111.847 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.01 -131.35 36.98 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.156 0.884 . . . . 0.0 113.617 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.0 m -55.76 -30.05 60.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.84 1.256 . . . . 0.0 113.747 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -74.73 -28.45 60.79 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.33 0.968 . . . . 0.0 112.888 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.24 -45.72 65.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.929 1.292 . . . . 0.0 109.666 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -45.7 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.446 0.698 . . . . 0.0 110.752 173.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.1 -45.35 91.1 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.089 -1.007 . . . . 0.0 111.75 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.69 82.45 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.195 0.907 . . . . 0.0 113.37 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.59 -32.39 62.35 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.366 0.984 . . . . 0.0 112.085 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.54 -44.8 93.12 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.107 -0.996 . . . . 0.0 110.775 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.87 -37.46 79.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.741 1.616 . . . . 0.0 112.919 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.9 -29.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.676 1.125 . . . . 0.0 111.576 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 124.058 0.943 . . . . 0.0 113.366 168.088 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.7 mm . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.43 -43.9 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.074 0.55 . . . . 0.0 111.295 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.5 -41.3 63.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.278 1.431 . . . . 0.0 112.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -66.14 -29.66 70.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.97 -15.38 16.14 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -87.96 -32.69 18.75 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.225 -0.922 . . . . 0.0 112.955 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -93.4 -19.8 20.95 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -151.57 169.04 23.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.102 1.761 . . . . 0.0 110.395 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -64.89 153.02 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 121.311 -0.868 . . . . 0.0 112.803 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -137.31 170.89 15.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.163 0.985 . . . . 0.0 113.133 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.5 p -117.33 168.36 10.41 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.617 1.967 . . . . 0.0 113.077 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -54.62 -39.97 68.46 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.532 -0.73 . . . . 0.0 111.673 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.82 -23.01 65.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.774 0.83 . . . . 0.0 112.972 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -85.41 -36.67 20.53 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.62 0.768 . . . . 0.0 111.27 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.87 -33.7 74.67 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.645 -0.659 . . . . 0.0 111.157 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.85 -4.42 27.93 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.427 1.491 . . . . 0.0 114.825 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -110.59 -24.72 10.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.862 1.265 . . . . 0.0 113.509 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -71.99 -22.74 61.38 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 176.617 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 120.679 0.276 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.65 143.37 28.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.287 1.835 . . . . 0.0 110.029 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.62 156.82 46.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.395 0.678 . . . . 0.0 112.045 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.09 -134.79 47.95 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.061 0.839 . . . . 0.0 114.115 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.9 p -56.53 -31.93 64.62 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.66 -35.7 70.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.226 0.921 . . . . 0.0 111.86 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.9 -40.78 71.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.06 0.944 . . . . 0.0 112.047 173.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.8 -47.42 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.813 0.845 . . . . 0.0 110.426 173.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.45 -41.14 98.53 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.275 -0.891 . . . . 0.0 111.662 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.91 95.42 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.252 3.9 pp -73.65 -30.3 62.85 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.942 1.246 . . . . 0.0 112.451 174.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.05 -29.18 68.9 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.348 0.977 . . . . 0.0 113.291 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.51 -40.61 22.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.145 0.978 . . . . 0.0 112.802 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 97.0 t -88.72 -33.16 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.857 0.863 . . . . 0.0 112.639 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 125.001 1.32 . . . . 0.0 113.536 178.361 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.408 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.76 -35.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.628 1.971 . . . . 0.0 112.086 -170.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.4 -42.37 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.516 -0.74 . . . . 0.0 111.044 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -34.07 71.59 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -67.73 -13.27 61.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.266 1.027 . . . . 0.0 113.754 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.84 -18.66 9.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.402 1.081 . . . . 0.0 113.818 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.98 -51.71 5.67 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.045 -1.034 . . . . 0.0 112.888 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.8 p -88.89 -18.23 27.98 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 121.232 -0.918 . . . . 0.0 113.204 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.3 m -136.18 151.78 50.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.906 2.082 . . . . 0.0 109.847 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.5 pt -63.53 150.25 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -129.47 163.21 26.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -104.43 171.61 7.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.589 1.956 . . . . 0.0 113.834 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.08 -37.63 74.85 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.363 -0.836 . . . . 0.0 111.617 169.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.03 66.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -80.54 -41.01 24.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.646 0.779 . . . . 0.0 110.848 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.57 -31.49 72.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.871 0.868 . . . . 0.0 111.818 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.16 -46.29 77.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.066 -1.021 . . . . 0.0 111.453 168.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.67 -36.77 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.62 -0.675 . . . . 0.0 112.747 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -66.03 -17.09 64.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 t -81.79 -28.1 33.36 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.148 0.979 . . . . 0.0 112.586 171.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -89.23 -33.41 17.0 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.085 1.354 . . . . 0.0 113.402 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.32 0 C-N-CA 125.406 1.479 . . . . 0.0 114.41 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 93.6 t80 . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.748 0.308 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 12.4 p -144.74 147.72 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.873 1.669 . . . . 0.0 109.669 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -62.51 143.5 57.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.417 0.687 . . . . 0.0 111.217 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -140.23 159.32 42.46 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -169.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -82.07 133.02 35.26 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.818 0.847 . . . . 0.0 111.24 171.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -144.45 134.58 24.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.896 1.678 . . . . 0.0 110.289 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 82.9 m -127.37 150.08 49.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.534 1.134 . . . . 0.0 111.689 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.48 -126.63 28.61 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.701 1.143 . . . . 0.0 114.364 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.8 m -58.74 -28.68 66.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.44 1.096 . . . . 0.0 113.61 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -75.08 -35.18 61.82 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.258 0.935 . . . . 0.0 111.852 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.92 -41.71 86.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.177 0.991 . . . . 0.0 110.897 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.4 -50.97 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.044 0.537 . . . . 0.0 111.129 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.71 -43.28 90.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.307 0.958 . . . . 0.0 111.837 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.28 87.85 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -36.92 84.49 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.602 1.092 . . . . 0.0 111.182 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.42 -44.14 88.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.609 0.764 . . . . 0.0 111.279 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -41.03 78.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.852 0.861 . . . . 0.0 112.434 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.12 -32.28 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.453 0.701 . . . . 0.0 111.269 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t -82.21 5.43 19.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.776 1.23 . . . . 0.0 114.021 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.39 -126.63 42.79 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.792 1.187 . . . . 0.0 114.26 171.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.59 -8.23 56.26 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -85.34 -76.63 0.32 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.949 1.3 . . . . 0.0 111.699 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.12 -149.95 11.13 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 123.595 0.617 . . . . 0.0 113.794 -172.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -88.44 135.55 33.42 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.819 0.848 . . . . 0.0 111.711 170.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -76.16 -20.02 57.94 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 172.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -111.84 169.81 8.58 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.655 1.982 . . . . 0.0 111.663 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 17.6 p -61.69 138.53 95.25 Favored Pre-proline 0 N--CA 1.474 0.774 0 O-C-N 121.462 -0.774 . . . . 0.0 111.533 172.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -77.03 153.74 32.63 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.001 2.467 . . . . 0.0 113.169 -172.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -147.62 137.96 23.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.936 1.694 . . . . 0.0 110.503 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 17.2 p -64.42 136.08 56.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.212 1.405 . . . . 0.0 111.863 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 . . . . . 0 C--O 1.248 1.014 0 C-N-CA 125.281 1.432 . . . . 0.0 112.414 -173.863 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.4 tt -143.57 -60.42 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.941 1.696 . . . . 0.0 110.467 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.27 -43.24 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.189 -0.945 . . . . 0.0 109.455 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.41 18.97 0.27 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.14 1.376 . . . . 0.0 114.203 174.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -125.86 -53.26 1.54 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 111.169 169.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.22 -9.96 43.38 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -102.52 -32.49 9.91 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.496 1.043 . . . . 0.0 112.457 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 p -78.08 -26.67 48.29 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.123 1.369 . . . . 0.0 113.135 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -136.07 175.16 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.622 1.969 . . . . 0.0 110.304 172.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.26 142.52 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 122.436 1.113 . . . . 0.0 112.429 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -94.48 163.24 13.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 t -149.91 154.33 38.13 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.98 1.712 . . . . 0.0 110.19 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.11 -37.45 34.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.974 0.91 . . . . 0.0 112.32 169.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.47 -29.36 69.46 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.274 1.03 . . . . 0.0 113.079 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -82.25 -39.91 22.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.122 0.969 . . . . 0.0 110.798 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.94 -38.71 91.86 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.725 1.21 . . . . 0.0 112.457 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.77 -28.27 68.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 175.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -63.69 -33.09 74.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.414 -0.804 . . . . 0.0 112.142 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -71.12 -21.55 62.19 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.515 0.726 . . . . 0.0 112.737 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.2 m -87.92 -2.39 58.58 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.226 1.41 . . . . 0.0 113.084 168.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.9 t30 54.79 38.48 30.27 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.503 1.921 . . . . 0.0 113.328 -167.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 C-N-CA 125.328 1.442 . . . . 0.0 114.014 177.582 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.0 t80 . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 11.3 p -140.26 138.38 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.004 1.322 . . . . 0.0 110.792 172.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -70.05 108.0 3.88 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.296 1.038 . . . . 0.0 111.529 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -144.29 160.1 41.57 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.936 1.694 . . . . 0.0 111.171 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -75.47 132.88 41.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.273 0.629 . . . . 0.0 110.363 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.49 134.63 41.7 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.782 1.633 . . . . 0.0 110.526 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.76 154.55 47.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.71 1.204 . . . . 0.0 111.758 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.48 -125.46 10.8 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.267 1.413 . . . . 0.0 114.942 168.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 10.1 t -57.45 -37.17 72.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.435 1.094 . . . . 0.0 113.096 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.86 -33.82 72.77 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.33 -0.856 . . . . 0.0 112.248 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 42.8 tp -70.83 -39.14 73.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.15 0.98 . . . . 0.0 111.391 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.2 -46.21 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.239 0.616 . . . . 0.0 110.899 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.67 -42.95 99.62 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.376 -0.828 . . . . 0.0 111.672 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.32 93.75 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.517 -0.739 . . . . 0.0 112.979 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -28.95 61.57 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.661 0.664 . . . . 0.0 112.12 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -44.7 86.55 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.196 -0.94 . . . . 0.0 111.084 169.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.48 -36.73 81.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.252 1.021 . . . . 0.0 113.243 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.3 -34.47 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.451 1.023 . . . . 0.0 112.409 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 79.4 m -92.08 -26.89 18.09 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 53.51 -128.11 38.37 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.018 1.294 . . . . 0.0 114.338 170.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.6 -12.3 43.99 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -70.78 -20.1 62.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.449 1.099 . . . . 0.0 112.289 171.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.25 150.46 15.91 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.507 1.527 . . . . 0.0 112.373 -171.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.67 -18.6 29.2 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -172.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -69.18 154.64 41.72 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.419 -0.801 . . . . 0.0 112.349 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.03 105.33 2.0 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.773 0.829 . . . . 0.0 109.937 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 41.7 p -73.49 139.21 77.93 Favored Pre-proline 0 N--CA 1.474 0.751 0 O-C-N 121.446 -0.784 . . . . 0.0 112.63 -171.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -75.41 -25.53 11.15 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.029 2.486 . . . . 0.0 112.728 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.74 141.4 25.58 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.098 2.159 . . . . 0.0 109.945 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 2.9 t -96.21 169.53 9.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.427 1.091 . . . . 0.0 112.854 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 127.267 2.227 . . . . 0.0 113.433 -177.476 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.0 -40.3 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.882 1.273 . . . . 0.0 113.634 -172.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.56 -42.13 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.239 0.615 . . . . 0.0 110.468 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.57 20.18 0.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.005 -1.059 . . . . 0.0 113.615 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -122.27 -46.43 2.18 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.952 1.701 . . . . 0.0 111.168 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.13 -14.28 27.41 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.32 -16.88 26.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.006 0.922 . . . . 0.0 112.059 171.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -102.86 -39.89 6.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.752 2.021 . . . . 0.0 112.794 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -118.09 168.54 10.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.035 2.134 . . . . 0.0 109.747 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.58 153.57 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 120.716 -1.24 . . . . 0.0 111.176 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.3 m -136.24 155.25 50.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.274 1.03 . . . . 0.0 112.651 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -121.57 151.75 40.01 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.309 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.78 -36.61 67.55 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -65.87 -16.54 63.94 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -90.57 -24.88 20.45 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.248 1.819 . . . . 0.0 111.329 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.8 mt -81.68 -31.13 32.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.362 1.065 . . . . 0.0 112.969 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.38 -18.17 57.51 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -56.82 -33.56 66.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.663 1.185 . . . . 0.0 112.73 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -5.87 59.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.619 1.168 . . . . 0.0 113.989 -175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.1 m -71.85 -12.21 61.17 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.7 t30 53.84 48.85 20.41 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.086 1.754 . . . . 0.0 112.609 -174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 C-N-CA 125.433 1.492 . . . . 0.0 112.493 -171.678 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.315 0.102 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 20.9 m -71.37 145.49 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.886 0.874 . . . . 0.0 113.079 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -85.35 65.6 9.28 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.676 1.19 . . . . 0.0 109.993 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -136.48 161.89 34.59 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.103 1.361 . . . . 0.0 112.773 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -78.33 156.24 29.7 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.838 1.255 . . . . 0.0 112.666 174.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.1 mt -136.74 125.86 24.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.399 1.88 . . . . 0.0 109.439 171.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.83 143.17 51.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.041 1.336 . . . . 0.0 110.931 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.01 -125.69 20.3 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.354 0.978 . . . . 0.0 114.023 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.9 m -59.13 -29.37 67.36 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -71.32 -35.16 71.14 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.37 0.987 . . . . 0.0 111.661 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.09 -45.25 74.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.183 1.393 . . . . 0.0 110.666 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.42 -43.35 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 111.059 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.04 -41.52 96.74 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.989 -1.07 . . . . 0.0 111.911 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.84 84.77 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -28.75 65.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.152 0.887 . . . . 0.0 112.156 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.3 -49.12 68.14 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.242 -0.911 . . . . 0.0 111.274 168.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.01 -40.33 97.43 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.246 1.019 . . . . 0.0 112.976 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.81 -29.42 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.219 0.918 . . . . 0.0 112.512 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 91.3 m -93.53 10.49 32.29 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.425 1.09 . . . . 0.0 113.777 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.15 -117.45 4.92 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.635 1.588 . . . . 0.0 113.014 175.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -81.79 -24.73 35.78 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -134.94 142.89 46.62 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.996 1.718 . . . . 0.0 111.53 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -91.51 -90.28 1.4 Allowed Glycine 0 N--CA 1.464 0.563 0 C-N-CA 124.732 1.158 . . . . 0.0 110.506 170.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -56.5 171.34 0.31 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.18 1.392 . . . . 0.0 112.722 169.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -66.26 -8.16 23.04 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -69.18 175.5 3.82 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.642 1.577 . . . . 0.0 112.913 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 7.2 m -53.47 138.47 49.93 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 126.241 1.816 . . . . 0.0 113.288 -173.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.28 139.56 53.91 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.655 2.904 . . . . 0.0 112.973 170.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 48.35 20.11 0.26 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.324 1.85 . . . . 0.0 115.004 -171.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m 62.41 0.55 0.62 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 127.745 2.418 . . . . 0.0 115.473 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.111 1.764 . . . . 0.0 112.512 -174.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.2 mt -73.81 -38.45 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.836 1.254 . . . . 0.0 111.674 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.2 -42.98 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.146 0.578 . . . . 0.0 112.053 -173.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.95 -35.08 68.68 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.66 0.784 . . . . 0.0 112.891 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -63.01 -29.48 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.943 0.897 . . . . 0.0 113.179 -173.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -112.66 -19.83 11.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -92.52 -37.71 12.35 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.192 1.36 . . . . 0.0 113.858 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.1 p -107.92 -31.64 7.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.342 1.057 . . . . 0.0 111.992 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -98.36 161.31 13.75 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.561 1.544 . . . . 0.0 109.952 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -88.58 155.18 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -145.07 164.4 31.33 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -174.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -118.44 161.92 19.19 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.899 2.08 . . . . 0.0 113.114 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -54.69 -38.26 66.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.094 0.957 . . . . 0.0 112.857 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -70.82 -17.11 62.76 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -86.57 -37.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.027 0.931 . . . . 0.0 110.886 169.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.99 -34.63 78.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.412 0.685 . . . . 0.0 111.495 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.16 -29.19 67.26 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -68.89 -35.28 76.67 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.197 -0.939 . . . . 0.0 112.179 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.22 -18.83 63.18 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.643 1.177 . . . . 0.0 112.766 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p -115.74 20.04 14.85 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.109 2.164 . . . . 0.0 112.901 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.8 t30 54.9 29.71 12.6 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.67 1.988 . . . . 0.0 115.468 170.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 C-N-CA 126.374 1.94 . . . . 0.0 115.072 175.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.344 -0.36 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 45.7 t 64.53 139.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.931 2.093 . . . . 0.0 112.395 -167.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . 0.267 0.5 OUTLIER 49.65 19.91 0.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.542 2.337 . . . . 0.0 117.158 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -152.17 156.13 39.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.673 1.989 . . . . 0.0 110.355 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -103.07 157.51 16.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.304 1.442 . . . . 0.0 113.839 -171.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 73.4 mt -137.24 134.25 35.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.026 2.13 . . . . 0.0 108.722 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.06 152.8 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.275 0.63 . . . . 0.0 112.171 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.86 -130.75 36.05 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.11 0.862 . . . . 0.0 112.836 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 16.5 m -56.67 -28.36 60.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -73.56 -33.71 64.81 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.598 1.09 . . . . 0.0 112.117 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tt -68.2 -44.33 76.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 109.889 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.28 -44.84 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.446 0.698 . . . . 0.0 111.151 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.29 -46.21 86.5 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.166 -0.959 . . . . 0.0 111.554 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.04 90.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.95 -35.91 67.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.098 0.863 . . . . 0.0 111.591 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.82 -40.18 91.59 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.209 -0.932 . . . . 0.0 111.582 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 47.2 mt -67.87 -42.73 80.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.594 0.633 . . . . 0.0 112.486 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.84 -31.4 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.254 0.933 . . . . 0.0 112.132 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 27.8 m -88.27 -0.21 56.87 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.47 -101.52 0.29 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.003 1.287 . . . . 0.0 113.71 173.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -76.16 -18.87 58.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.735 1.214 . . . . 0.0 113.65 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -94.95 139.54 31.2 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.197 1.399 . . . . 0.0 112.532 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -110.06 -155.49 15.25 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 126.119 1.819 . . . . 0.0 112.734 173.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -57.76 134.85 56.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 117.86 0.83 . . . . 0.0 111.728 170.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -86.45 -30.17 22.26 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.449 0.7 . . . . 0.0 112.678 171.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 60.22 -28.62 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.77 2.828 . . . . 0.0 115.735 -171.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 37.7 p -76.36 164.78 57.67 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 126.412 1.885 . . . . 0.0 112.241 169.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -59.3 159.05 24.13 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.276 2.651 . . . . 0.0 114.778 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -56.47 135.34 54.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.259 1.823 . . . . 0.0 111.947 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 79.3 p -129.12 -12.66 4.59 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.861 1.264 . . . . 0.0 114.017 171.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 125.551 1.54 . . . . 0.0 111.053 170.461 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 112.149 -0.38 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.6 mt -89.1 -46.28 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.434 1.094 . . . . 0.0 112.274 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.29 -41.38 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -169.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.5 -28.89 65.81 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -67.86 -31.43 71.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.585 -0.697 . . . . 0.0 111.988 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.99 -24.22 10.49 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.84 -49.42 6.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.345 0.975 . . . . 0.0 113.092 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.8 p -94.5 -37.99 11.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.837 0.855 . . . . 0.0 111.727 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -95.16 -174.92 3.36 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.155 1.382 . . . . 0.0 110.068 167.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.15 153.4 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.474 1.11 . . . . 0.0 111.886 170.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.6 p -137.12 157.79 45.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.972 0.909 . . . . 0.0 113.222 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -103.73 161.86 13.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.26 1.824 . . . . 0.0 112.941 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.82 -37.73 69.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.083 0.953 . . . . 0.0 112.384 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -72.0 -17.8 62.02 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.99 -38.82 17.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.068 0.947 . . . . 0.0 111.012 171.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.36 -34.39 73.79 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.769 0.828 . . . . 0.0 111.507 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.37 -30.93 71.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.308 1.043 . . . . 0.0 113.232 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.48 -27.52 61.44 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.708 -1.245 . . . . 0.0 112.06 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.22 -15.79 61.94 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.241 -0.912 . . . . 0.0 112.747 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 m -76.06 -14.3 60.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.865 1.666 . . . . 0.0 113.639 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -81.08 43.2 0.69 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 126.232 1.813 . . . . 0.0 113.154 -170.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 126.45 1.976 . . . . 0.0 113.132 -176.608 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 38.3 p90 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.59 0.233 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.68 147.89 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.92 1.688 . . . . 0.0 109.372 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -86.29 153.79 21.72 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.673 1.189 . . . . 0.0 112.996 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -141.17 163.7 32.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.062 1.745 . . . . 0.0 110.757 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -75.49 137.02 40.63 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.07 0.462 . . . . 0.0 110.854 168.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 21.9 mt -140.58 125.77 18.61 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.504 1.922 . . . . 0.0 108.705 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.3 t -138.15 147.33 43.78 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.65 -123.93 24.9 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.998 0.808 . . . . 0.0 113.068 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 24.9 p -56.71 -29.33 62.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -75.25 -32.13 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.452 1.024 . . . . 0.0 111.812 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.33 -43.14 70.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.749 1.219 . . . . 0.0 110.135 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.3 -47.54 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.341 0.657 . . . . 0.0 110.979 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.14 -40.13 84.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.02 -1.05 . . . . 0.0 111.994 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.65 82.77 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.59 -29.84 65.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.956 1.253 . . . . 0.0 111.648 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.99 -36.41 79.98 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.091 -1.006 . . . . 0.0 112.119 168.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 53.0 mt -68.36 -32.9 73.31 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.727 -1.233 . . . . 0.0 112.101 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.96 -40.83 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.624 0.77 . . . . 0.0 112.401 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 70.1 m -108.2 18.56 20.97 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -170.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 61.26 -147.62 47.26 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.301 1.429 . . . . 0.0 114.772 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.74 -16.63 58.51 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -175.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -80.74 -53.39 6.55 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.918 1.287 . . . . 0.0 112.957 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 65.04 -103.84 0.85 Allowed Glycine 0 CA--C 1.531 1.073 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -168.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -66.59 179.35 1.06 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.111 0.964 . . . . 0.0 112.51 168.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . 0.32 51.4 p90 50.29 47.63 23.48 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.17 1.788 . . . . 0.0 115.158 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 68.81 157.72 0.15 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.661 2.785 . . . . 0.0 116.17 169.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -53.1 144.52 28.02 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 127.122 2.169 . . . . 0.0 113.22 -175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -60.09 -23.18 72.52 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 123.313 2.675 . . . . 0.0 116.535 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.08 137.17 58.17 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.337 1.055 . . . . 0.0 112.011 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 7.9 t -139.25 173.73 11.25 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.971 1.708 . . . . 0.0 111.553 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.197 0 C-N-CA 125.817 1.647 . . . . 0.0 113.096 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 CA-C-O 121.181 0.323 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.9 mt -56.7 -47.05 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.76 1.624 . . . . 0.0 113.196 -170.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.61 -45.03 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.298 0.499 . . . . 0.0 110.431 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.68 -41.51 86.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.28 1.032 . . . . 0.0 111.85 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -61.53 -20.49 63.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.339 1.455 . . . . 0.0 113.805 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.09 -3.53 13.96 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -106.92 -46.69 3.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.61 1.095 . . . . 0.0 113.495 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -94.48 -33.53 13.05 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.935 0.788 . . . . 0.0 111.704 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 p -111.47 172.62 6.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.556 1.942 . . . . 0.0 110.345 168.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 pt -93.64 151.11 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.048 0.939 . . . . 0.0 113.037 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -142.22 169.86 16.8 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.239 1.016 . . . . 0.0 112.003 169.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 p -129.38 -179.3 5.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.027 1.731 . . . . 0.0 112.539 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.12 -33.51 52.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.296 1.038 . . . . 0.0 112.637 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -71.08 -17.65 62.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.458 1.103 . . . . 0.0 113.415 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -94.48 -35.95 12.08 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.034 0.933 . . . . 0.0 111.676 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.83 -31.75 72.88 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.372 -0.83 . . . . 0.0 112.013 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.44 -5.82 51.21 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 168.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -95.57 -45.34 7.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.131 -0.981 . . . . 0.0 111.819 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.27 -26.84 68.67 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.6 p -70.31 -16.77 63.04 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.2 t30 50.92 48.72 22.49 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.286 1.834 . . . . 0.0 114.112 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 C-N-CA 125.237 1.398 . . . . 0.0 112.989 179.165 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.9 p90 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 25.6 m -138.99 163.58 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 126.26 1.824 . . . . 0.0 111.203 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.01 49.59 20.36 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.424 1.49 . . . . 0.0 113.705 174.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -139.6 155.87 47.2 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.073 1.349 . . . . 0.0 111.335 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -123.45 147.65 46.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.461 1.505 . . . . 0.0 112.708 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 78.1 mt -142.99 144.06 32.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.716 2.006 . . . . 0.0 110.344 169.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.67 153.91 46.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.525 1.13 . . . . 0.0 112.769 -170.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.78 -132.02 36.05 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.971 1.272 . . . . 0.0 114.529 169.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.8 m -57.69 -29.28 64.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.209 1.004 . . . . 0.0 113.417 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.6 -28.41 60.89 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.298 -0.877 . . . . 0.0 112.868 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.92 -43.68 71.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.426 0.69 . . . . 0.0 109.99 170.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.07 -44.09 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.273 0.629 . . . . 0.0 111.455 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.14 -33.98 74.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 112.114 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.38 88.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.292 -0.88 . . . . 0.0 112.395 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.25 -48.32 80.79 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.629 1.104 . . . . 0.0 109.572 169.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -67.35 -8.96 36.63 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -107.53 -35.36 6.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.029 1.332 . . . . 0.0 113.433 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.37 -38.65 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.251 1.02 . . . . 0.0 112.052 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 25.9 t -100.21 -27.14 13.66 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.361 1.464 . . . . 0.0 112.24 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.48 -155.79 31.25 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.806 1.194 . . . . 0.0 112.855 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -67.8 3.02 1.61 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -64.87 -26.8 68.48 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.147 1.379 . . . . 0.0 112.216 168.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -64.35 155.99 45.99 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 118.905 0.775 . . . . 0.0 113.504 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 42.6 -89.83 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.48 2.312 . . . . 0.0 115.692 175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.48 -14.07 62.01 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 79.2 t80 64.83 155.09 0.07 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.908 2.483 . . . . 0.0 116.564 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 7.2 t -149.38 144.71 18.2 Favored Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 126.815 2.046 . . . . 0.0 108.76 169.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.84 133.67 51.86 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.872 2.381 . . . . 0.0 112.863 174.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -66.14 -23.03 66.41 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 82.2 m -120.57 113.39 20.2 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.678 1.591 . . . . 0.0 108.06 168.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.371 1.469 . . . . 0.0 112.019 -173.297 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 CA-C-O 121.067 0.259 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mm -69.78 -51.97 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.844 1.258 . . . . 0.0 112.619 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -71.88 -38.94 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.008 0.523 . . . . 0.0 112.084 -170.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.47 -39.47 73.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.467 1.107 . . . . 0.0 112.75 -173.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.08 -33.16 73.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.654 1.182 . . . . 0.0 113.351 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.45 -8.27 15.62 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.37 -39.65 12.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.947 0.899 . . . . 0.0 111.84 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.2 p -85.01 -20.85 29.85 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -141.97 161.55 37.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.756 2.022 . . . . 0.0 110.897 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 pt -70.48 153.15 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.337 0.655 . . . . 0.0 112.296 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.7 m -135.22 158.52 44.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.763 1.225 . . . . 0.0 113.565 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -105.94 159.65 15.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.642 1.577 . . . . 0.0 111.575 170.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -54.04 -33.76 58.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 112.93 -173.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.716 0.806 . . . . 0.0 113.156 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -73.28 -34.29 65.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.823 0.849 . . . . 0.0 110.902 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.48 -39.18 71.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.855 0.862 . . . . 0.0 111.112 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -62.05 -35.79 79.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.783 0.833 . . . . 0.0 112.129 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.41 -29.21 67.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.127 0.971 . . . . 0.0 113.353 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.9 -5.8 54.55 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -76.1 44.83 0.33 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.059 1.743 . . . . 0.0 112.996 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -86.56 101.38 13.16 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.234 1.414 . . . . 0.0 110.414 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 C-N-CA 125.474 1.511 . . . . 0.0 113.324 178.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.381 0.134 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.5 m -66.82 159.69 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.336 1.055 . . . . 0.0 112.494 175.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -78.18 49.57 0.83 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.765 1.626 . . . . 0.0 115.234 -170.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -90.84 148.11 22.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.326 1.45 . . . . 0.0 112.88 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -107.67 138.94 43.0 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.343 1.457 . . . . 0.0 110.869 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.0 109.72 15.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.646 1.579 . . . . 0.0 109.518 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 81.4 m -122.18 140.22 52.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.249 1.419 . . . . 0.0 110.847 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.71 -120.62 12.42 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.123 0.868 . . . . 0.0 113.135 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 26.3 m -59.28 -25.52 64.18 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -74.74 -29.52 61.19 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.798 1.181 . . . . 0.0 112.053 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -47.86 70.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.751 1.221 . . . . 0.0 109.824 171.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.45 -49.69 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 111.032 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.98 -41.54 96.66 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.61 83.54 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.11 -32.33 70.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.017 1.28 . . . . 0.0 111.888 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.27 -34.05 72.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.037 0.835 . . . . 0.0 112.736 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -69.63 -37.45 76.82 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.072 -1.017 . . . . 0.0 112.61 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.28 -45.31 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.575 0.625 . . . . 0.0 111.973 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.49 -16.17 24.77 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -171.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.83 -158.48 46.68 Favored Glycine 0 CA--C 1.535 1.337 0 O-C-N 121.202 -0.936 . . . . 0.0 113.031 -169.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.1 0.81 8.64 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -172.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -58.57 -36.85 74.59 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.42 1.488 . . . . 0.0 113.164 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 59.46 -148.13 41.66 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.36 0.981 . . . . 0.0 114.605 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -148.03 155.1 41.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.443 1.097 . . . . 0.0 112.653 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -86.71 162.18 18.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.86 1.664 . . . . 0.0 111.082 170.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.98 138.53 30.15 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.169 0.988 . . . . 0.0 112.801 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 37.0 p 41.87 73.42 0.91 Allowed Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 126.68 1.992 . . . . 0.0 113.402 -173.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -46.84 125.23 9.52 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 124.574 3.516 . . . . 0.0 114.085 -172.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.75 154.56 18.87 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.882 1.273 . . . . 0.0 112.317 -171.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 30.4 p -81.07 163.53 23.12 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.355 1.462 . . . . 0.0 112.472 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.243 1.817 . . . . 0.0 111.719 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 112.328 -0.309 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.7 -46.25 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 125.038 1.335 . . . . 0.0 112.028 -173.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -43.76 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.871 0.869 . . . . 0.0 112.253 -171.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.52 -46.0 77.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.552 1.141 . . . . 0.0 111.867 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -66.87 -36.93 83.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.54 -15.6 21.55 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 t -86.79 -38.82 16.5 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.308 -0.87 . . . . 0.0 111.544 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.4 p -86.7 -19.18 29.58 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -143.86 160.71 40.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.517 1.927 . . . . 0.0 111.359 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.21 147.28 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.139 -0.975 . . . . 0.0 112.711 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -119.56 153.36 35.52 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.696 1.198 . . . . 0.0 113.936 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 m -100.5 163.21 12.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.27 1.828 . . . . 0.0 111.991 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.34 -40.85 65.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.702 0.801 . . . . 0.0 111.774 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.91 -20.54 65.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.476 1.11 . . . . 0.0 113.802 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -85.87 -46.92 10.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.97 0.908 . . . . 0.0 110.795 172.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.34 -31.84 73.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.191 0.996 . . . . 0.0 112.813 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.18 -16.05 61.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.299 1.04 . . . . 0.0 113.387 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -87.26 -29.64 21.5 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.986 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -73.88 -21.56 60.04 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 p -69.63 150.39 47.09 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -172.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -79.98 56.39 2.36 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.53 1.932 . . . . 0.0 112.571 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.211 0 CA-C-O 118.173 -1.348 . . . . 0.0 113.481 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.571 0.224 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 13.4 p -140.41 142.38 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.696 1.598 . . . . 0.0 109.687 170.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -64.45 129.94 41.8 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.308 0.575 . . . . 0.0 110.696 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -151.59 163.5 38.92 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.704 1.202 . . . . 0.0 112.103 -169.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -76.4 137.95 40.08 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.361 0.664 . . . . 0.0 110.386 170.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 74.2 mt -140.92 126.58 19.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.312 1.845 . . . . 0.0 109.342 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.19 145.44 43.69 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.553 0.741 . . . . 0.0 111.236 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.57 -127.25 33.62 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.216 0.912 . . . . 0.0 113.219 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.1 p -56.06 -31.43 63.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 114.192 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -71.09 -33.82 70.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.425 1.012 . . . . 0.0 111.883 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.72 -43.37 69.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.506 1.122 . . . . 0.0 110.609 174.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.01 -45.61 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.443 0.697 . . . . 0.0 111.195 174.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.4 -42.07 99.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.476 -0.765 . . . . 0.0 111.616 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.51 93.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.93 -29.94 68.3 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.666 -1.272 . . . . 0.0 112.282 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.43 -19.68 62.96 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.09 -40.13 14.03 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.128 0.971 . . . . 0.0 112.15 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.03 -41.67 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.926 0.89 . . . . 0.0 112.104 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 34.2 t -99.9 -2.35 35.01 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.886 1.274 . . . . 0.0 113.339 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.41 -143.91 41.57 Favored Glycine 0 CA--C 1.533 1.176 0 O-C-N 120.877 -1.139 . . . . 0.0 113.423 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -73.46 35.3 0.08 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.709 2.404 . . . . 0.0 115.476 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 47.0 mtt85 -129.58 -1.36 4.9 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 127.486 2.314 . . . . 0.0 114.032 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.0 -61.53 5.67 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.87 1.224 . . . . 0.0 114.926 -168.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -131.29 -40.2 1.14 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.457 1.103 . . . . 0.0 112.18 173.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -130.69 159.07 38.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.655 1.982 . . . . 0.0 111.383 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -74.0 141.3 45.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.23 0.612 . . . . 0.0 112.6 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 56.4 m -119.0 130.47 24.82 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 125.132 1.373 . . . . 0.0 109.611 172.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.9 136.16 65.44 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.23 2.62 . . . . 0.0 114.638 -177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -66.16 144.52 56.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.886 1.274 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 37.4 p -88.47 -11.87 44.64 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.95 1.3 . . . . 0.0 114.349 -171.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.665 1.986 . . . . 0.0 110.748 178.622 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 CA-C-O 121.117 0.287 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -40.59 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.912 1.285 . . . . 0.0 113.484 -170.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.28 -50.08 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 122.861 0.464 . . . . 0.0 110.469 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -57.98 -39.62 78.64 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.943 0.897 . . . . 0.0 112.05 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.78 -25.29 64.79 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.66 -18.0 12.88 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 171.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -97.13 -36.79 10.36 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.2 p -109.25 -32.15 7.3 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.618 1.167 . . . . 0.0 111.64 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -93.54 155.33 17.38 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.459 1.504 . . . . 0.0 109.318 166.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -73.55 144.72 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 120.978 -1.076 . . . . 0.0 112.87 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -110.15 148.95 30.8 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.573 1.949 . . . . 0.0 112.653 -169.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -154.0 157.18 38.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.683 1.593 . . . . 0.0 111.447 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.48 -45.77 13.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.3 1.04 . . . . 0.0 112.467 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.52 -3.75 19.54 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -97.7 -48.39 5.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.357 1.463 . . . . 0.0 110.391 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.52 -29.25 69.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.18 -15.41 14.63 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.021 1.328 . . . . 0.0 114.266 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -89.39 -50.4 6.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 110.92 174.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -70.69 -5.53 30.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.033 1.333 . . . . 0.0 114.577 -169.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.8 p -90.07 -16.86 28.85 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -141.27 -39.36 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.287 0 C-N-CA 124.726 1.155 . . . . 0.0 112.907 -168.512 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.939 0.399 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.92 155.63 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.669 1.588 . . . . 0.0 110.569 170.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . 0.352 7.0 p30 53.57 179.84 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.424 2.29 . . . . 0.0 116.393 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 61.94 -174.6 0.14 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.643 1.577 . . . . 0.0 111.947 -166.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -119.75 153.12 36.15 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -169.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 99.5 mt -137.45 135.77 37.17 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.427 2.291 . . . . 0.0 109.351 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 1.7 t -137.56 153.83 49.9 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.583 0.753 . . . . 0.0 112.398 -172.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.95 -130.78 36.47 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 123.968 0.794 . . . . 0.0 113.876 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 30.9 p -58.54 -27.97 65.04 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -73.12 -32.89 65.21 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.793 1.179 . . . . 0.0 112.104 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.53 -46.86 74.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.607 1.163 . . . . 0.0 110.206 171.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.71 -42.47 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.377 0.671 . . . . 0.0 111.852 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -39.7 93.99 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.006 -1.059 . . . . 0.0 111.776 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.21 87.27 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.11 -30.29 70.27 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.455 1.48 . . . . 0.0 112.21 176.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.0 -42.17 81.15 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.737 -0.602 . . . . 0.0 112.045 170.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 73.4 mt -71.35 -35.45 71.17 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.07 -1.019 . . . . 0.0 113.016 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.72 -33.85 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.715 1.206 . . . . 0.0 111.874 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 58.3 m -112.31 -14.56 13.3 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -174.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.22 -123.59 26.11 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.256 0.934 . . . . 0.0 112.809 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -4.49 12.22 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -170.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -61.87 -34.8 76.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.074 0.949 . . . . 0.0 112.716 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.03 -118.87 6.14 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.035 0.826 . . . . 0.0 113.123 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -123.11 144.62 49.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.622 1.569 . . . . 0.0 112.23 -173.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -14.46 58.87 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 59.6 171.78 0.08 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.509 1.923 . . . . 0.0 114.4 -171.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.8 m -54.79 122.65 41.65 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 124.97 1.308 . . . . 0.0 112.38 -169.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -73.58 159.69 45.55 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.355 2.703 . . . . 0.0 112.877 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 167.63 21.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.872 1.269 . . . . 0.0 112.918 176.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 6.8 t -68.99 156.36 38.74 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.591 1.956 . . . . 0.0 112.05 -179.054 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.26 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -157.54 -50.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 124.87 1.268 . . . . 0.0 112.246 -178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.69 -38.85 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.278 -0.889 . . . . 0.0 110.88 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -74.61 1.16 12.8 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.574 1.15 . . . . 0.0 114.075 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.82 -40.78 8.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.604 1.162 . . . . 0.0 112.054 170.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -114.42 -16.98 11.87 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.48 -50.97 6.84 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.865 1.211 . . . . 0.0 110.816 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 p -85.25 -13.11 50.84 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.426 1.49 . . . . 0.0 114.033 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.8 169.63 17.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.953 1.701 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.5 138.33 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 0.0 110.898 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.93 163.24 26.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.2 1.4 . . . . 0.0 113.068 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -132.75 153.98 50.67 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.72 2.008 . . . . 0.0 110.436 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.7 -32.93 45.23 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.043 0.937 . . . . 0.0 113.342 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.62 -25.01 65.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.33 1.452 . . . . 0.0 113.876 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -87.55 -33.09 19.05 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.805 1.642 . . . . 0.0 111.788 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.56 -25.62 65.0 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.92 -22.53 5.68 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.927 1.291 . . . . 0.0 114.202 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -60.99 -42.12 97.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.494 1.118 . . . . 0.0 112.379 175.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -83.36 -10.89 58.18 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.8 m -73.66 10.85 0.96 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.008 1.723 . . . . 0.0 115.0 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -106.47 9.45 31.63 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.837 1.655 . . . . 0.0 113.743 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.821 1.676 . . . . 0.0 112.745 175.461 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 119.546 -0.264 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 75.5 t 65.19 135.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 127.484 2.314 . . . . 0.0 113.845 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.57 55.93 8.37 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.815 2.046 . . . . 0.0 113.428 -176.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -140.0 165.52 27.1 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.526 1.531 . . . . 0.0 112.724 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -86.48 139.91 30.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.759 0.824 . . . . 0.0 110.633 168.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 64.0 mt -140.19 120.42 13.86 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.244 1.818 . . . . 0.0 109.422 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.0 146.24 48.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.88 0.872 . . . . 0.0 111.574 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.46 -126.02 27.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.126 0.87 . . . . 0.0 113.178 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -57.81 -29.26 64.76 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -71.49 -34.07 69.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.645 1.111 . . . . 0.0 111.673 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.51 -46.37 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.312 1.045 . . . . 0.0 110.198 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.83 -46.66 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.995 0.918 . . . . 0.0 111.073 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.44 -36.65 78.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.619 0.768 . . . . 0.0 111.947 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.71 85.17 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.22 0.918 . . . . 0.0 113.085 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.25 -48.58 79.29 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 109.643 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -67.91 -21.42 65.13 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.08 -43.06 22.46 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.124 -0.985 . . . . 0.0 112.251 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.1 p -84.46 -31.97 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 61.7 m -103.06 3.58 36.21 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.326 1.451 . . . . 0.0 113.839 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 58.78 -139.3 48.63 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.866 0.746 . . . . 0.0 112.004 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.91 -9.67 7.52 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -96.19 24.22 5.88 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.269 1.428 . . . . 0.0 114.162 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.82 -32.84 34.25 Favored Glycine 0 CA--C 1.543 1.818 0 C-N-CA 124.259 0.933 . . . . 0.0 113.483 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -129.94 150.19 51.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.959 2.103 . . . . 0.0 108.437 166.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -132.85 156.52 47.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.498 1.119 . . . . 0.0 112.985 -169.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -86.36 -13.26 46.94 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -168.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 22.1 p -69.85 147.64 96.17 Favored Pre-proline 0 N--CA 1.479 0.978 0 CA-C-N 119.497 1.044 . . . . 0.0 113.054 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.62 153.98 72.39 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.319 2.679 . . . . 0.0 112.85 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -147.5 161.28 41.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.956 1.702 . . . . 0.0 112.204 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 45.9 p -117.33 -6.87 11.25 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -169.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 . . . . . 0 N--CA 1.483 1.211 0 C-N-CA 125.874 1.67 . . . . 0.0 112.453 -175.181 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.325 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp -156.7 -41.25 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.764 1.226 . . . . 0.0 110.943 175.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.84 -44.79 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.266 1.426 . . . . 0.0 111.89 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -58.2 -30.7 66.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.626 1.171 . . . . 0.0 113.517 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -73.15 -8.17 54.58 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.765 1.626 . . . . 0.0 114.561 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 m -125.57 -17.08 5.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.073 1.749 . . . . 0.0 113.609 168.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.43 -33.75 17.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.392 1.077 . . . . 0.0 112.806 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.1 p -74.62 -32.44 62.31 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 120.764 -1.21 . . . . 0.0 113.091 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.8 p -157.79 165.41 35.39 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.284 1.834 . . . . 0.0 111.017 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 pt -58.28 143.17 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.633 0.773 . . . . 0.0 111.976 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.3 p -128.98 178.05 6.67 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -168.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -85.05 151.36 24.21 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.513 0.725 . . . . 0.0 112.687 -173.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.88 -33.28 73.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.431 169.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -65.2 -27.9 69.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.259 1.024 . . . . 0.0 113.225 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.77 -45.19 62.43 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.499 -0.751 . . . . 0.0 110.101 173.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.44 -31.57 72.4 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.335 -0.853 . . . . 0.0 112.61 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.69 -11.59 60.69 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.079 0.952 . . . . 0.0 113.406 169.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -97.18 -30.22 13.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.421 1.488 . . . . 0.0 112.435 174.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -77.14 -23.98 51.66 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.873 0.76 . . . . 0.0 112.64 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.1 p -74.8 171.34 14.15 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.999 0.919 . . . . 0.0 112.883 171.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.93 38.74 27.8 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.438 1.895 . . . . 0.0 111.605 -169.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 117.733 -1.593 . . . . 0.0 113.007 179.549 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.749 0.309 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 12.7 m -68.54 162.42 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.137 0.975 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -128.55 153.3 47.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.809 1.243 . . . . 0.0 111.217 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . 0.28 6.5 pt20 50.64 -177.94 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 127.825 2.45 . . . . 0.0 114.884 -170.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.25 124.9 28.61 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.656 -1.277 . . . . 0.0 112.184 -171.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.0 89.01 4.4 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.727 1.211 . . . . 0.0 109.002 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.3 m -116.91 142.66 46.65 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.121 1.768 . . . . 0.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.88 -123.77 18.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.975 0.798 . . . . 0.0 113.726 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.3 m -56.31 -30.97 63.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -71.68 -32.45 67.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.44 1.018 . . . . 0.0 112.434 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.21 -41.11 70.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.206 0.603 . . . . 0.0 111.867 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.78 -47.64 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.499 0.72 . . . . 0.0 110.11 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.21 -44.52 92.26 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.344 0.658 . . . . 0.0 111.73 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.74 99.91 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.25 3.8 pp -72.25 -30.98 65.38 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.077 1.308 . . . . 0.0 112.026 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -70.63 -15.22 62.72 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 74.1 mt -94.91 -39.92 9.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.636 1.174 . . . . 0.0 112.778 172.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.4 t -84.13 -35.51 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.984 0.914 . . . . 0.0 112.251 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.5 t -106.83 -4.99 18.68 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.894 1.278 . . . . 0.0 113.149 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.27 -145.97 38.51 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.989 -1.07 . . . . 0.0 114.313 174.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.03 -23.89 49.68 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.957 2.103 . . . . 0.0 115.24 -172.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -62.18 -31.8 72.36 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -169.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 51.25 -139.2 26.06 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.144 0.878 . . . . 0.0 114.536 170.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -151.8 158.88 43.89 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.474 1.51 . . . . 0.0 110.596 169.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -88.16 157.25 18.88 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.671 0.788 . . . . 0.0 112.289 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.48 -23.18 67.19 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.764 1.226 . . . . 0.0 114.143 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 37.0 m -127.46 90.21 49.21 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 125.392 1.477 . . . . 0.0 108.282 170.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -54.36 142.12 70.02 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.556 2.837 . . . . 0.0 114.491 -170.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -111.42 -17.13 13.18 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.818 2.047 . . . . 0.0 113.009 -177.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 5.9 t -64.48 158.38 24.11 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.646 1.179 . . . . 0.0 112.753 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.266 1.827 . . . . 0.0 111.484 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.4 mm -63.25 -44.87 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.643 1.177 . . . . 0.0 111.388 -174.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.4 -46.34 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.569 0.748 . . . . 0.0 112.064 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -67.83 -29.76 68.99 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.041 -1.037 . . . . 0.0 113.288 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -68.7 -27.79 66.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.216 1.007 . . . . 0.0 113.656 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 t -118.41 -18.76 9.1 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -97.44 -51.8 4.02 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.769 1.168 . . . . 0.0 112.803 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 p -90.71 -5.87 55.19 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.276 1.03 . . . . 0.0 113.723 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -139.36 162.47 34.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.083 2.153 . . . . 0.0 110.21 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.84 154.58 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.33 165.59 26.79 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 113.111 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -138.08 169.1 18.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.556 1.942 . . . . 0.0 110.444 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.1 mt -55.25 -36.26 65.87 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 111.535 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -64.89 -31.59 72.9 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -83.99 -35.23 24.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.671 1.188 . . . . 0.0 110.989 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.56 -35.83 81.78 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.623 0.769 . . . . 0.0 111.289 170.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -68.36 -26.39 65.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.938 0.895 . . . . 0.0 113.008 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.44 -24.16 64.7 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.076 -1.015 . . . . 0.0 112.803 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -78.12 -19.88 53.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.195 0.998 . . . . 0.0 113.527 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.75 158.47 21.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 112.849 174.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -71.91 127.71 33.43 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.64 -0.663 . . . . 0.0 111.785 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 CA-C-O 118.314 -1.27 . . . . 0.0 112.838 178.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.488 1.445 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.29 5.66 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 54.82 46.49 24.4 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.438 1.895 . . . . 0.0 113.739 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -101.87 166.93 10.39 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.198 1.799 . . . . 0.0 112.444 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -123.65 145.81 48.67 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.684 1.593 . . . . 0.0 111.07 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -132.1 143.78 50.26 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.929 2.092 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.04 156.94 47.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.508 0.723 . . . . 0.0 112.077 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.2 -131.45 37.78 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.656 1.122 . . . . 0.0 114.077 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -55.99 -32.26 63.78 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.576 1.15 . . . . 0.0 113.753 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.69 -33.28 64.36 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.267 0.94 . . . . 0.0 112.843 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -46.87 73.45 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.182 0.993 . . . . 0.0 109.577 171.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -47.52 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.216 1.007 . . . . 0.0 111.514 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.6 -46.05 87.57 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.41 -0.806 . . . . 0.0 111.989 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -41.94 77.5 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.415 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -56.92 -43.31 81.3 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.409 1.004 . . . . 0.0 112.635 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.03 -34.21 77.5 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.941 0.897 . . . . 0.0 112.693 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 63.6 t -74.12 -36.29 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.658 0.783 . . . . 0.0 112.789 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.9 m -66.27 -33.38 75.61 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.96 -109.48 2.27 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 118.445 0.566 . . . . 0.0 112.169 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.56 -11.14 59.89 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -81.48 149.57 28.68 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.191 0.996 . . . . 0.0 112.023 173.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -80.47 -174.91 48.51 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-O 122.301 0.945 . . . . 0.0 114.215 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -91.32 145.71 24.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.179 1.392 . . . . 0.0 112.795 -174.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 61.3 t80 61.29 133.04 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.263 2.625 . . . . 0.0 115.759 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -78.58 102.24 7.84 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.605 -1.31 . . . . 0.0 110.386 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 13.9 p -75.85 156.77 84.34 Favored Pre-proline 0 N--CA 1.474 0.74 0 C-N-CA 123.91 0.884 . . . . 0.0 112.966 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.62 152.37 56.28 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.524 2.816 . . . . 0.0 114.287 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -132.31 159.6 38.67 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.714 1.605 . . . . 0.0 112.09 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 34.7 p -74.02 159.74 32.27 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.049 1.34 . . . . 0.0 112.898 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.267 1.827 . . . . 0.0 111.363 -179.402 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt -78.89 -33.65 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.63 -42.08 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 110.471 -176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -78.16 12.46 1.85 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -122.64 -30.23 3.92 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.076 1.75 . . . . 0.0 112.384 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -113.95 -19.98 11.22 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.7 t -97.57 -44.38 6.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.974 1.261 . . . . 0.0 112.077 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.1 p -74.09 -23.72 59.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.483 1.113 . . . . 0.0 113.44 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -148.05 167.57 24.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.458 1.903 . . . . 0.0 110.497 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 pt -61.21 146.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.797 . . . . 0.0 112.941 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -142.97 174.53 10.59 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.949 . . . . 0.0 111.562 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -125.67 157.72 36.57 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.261 1.424 . . . . 0.0 113.034 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -54.24 -36.39 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.105 1.362 . . . . 0.0 111.718 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.18 -18.62 64.65 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -87.89 -31.9 19.24 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.649 1.18 . . . . 0.0 111.702 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.6 -25.63 68.32 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.043 0.838 . . . . 0.0 113.111 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.78 -24.67 62.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 170.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.98 -26.28 65.84 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.054 -1.029 . . . . 0.0 112.802 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -105.77 -8.78 17.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p -93.58 -16.66 24.16 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 -171.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -123.81 -39.72 2.38 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.452 1.101 . . . . 0.0 112.456 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.345 0 C-N-CA 124.006 0.812 . . . . 0.0 113.074 -168.402 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 120.651 0.262 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 14.7 p -142.57 144.5 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.825 1.65 . . . . 0.0 109.976 169.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.42 129.58 22.14 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.654 1.181 . . . . 0.0 112.845 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -148.23 164.54 33.68 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -169.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -82.48 138.88 34.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.146 0.978 . . . . 0.0 110.92 169.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 58.9 mt -141.89 138.02 31.78 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.059 2.144 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.73 156.35 45.61 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.558 0.743 . . . . 0.0 112.409 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.03 -134.17 36.47 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.093 0.854 . . . . 0.0 114.006 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.7 m -59.91 -28.16 67.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -70.88 -36.28 72.7 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.455 1.025 . . . . 0.0 111.757 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 46.0 tp -70.46 -39.7 74.11 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.209 1.004 . . . . 0.0 111.883 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.5 -48.32 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.79 0.436 . . . . 0.0 110.602 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.26 -42.57 81.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.618 -0.676 . . . . 0.0 111.337 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.8 84.88 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.75 -31.15 67.87 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.195 1.361 . . . . 0.0 112.016 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.32 -46.54 69.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.01 0.524 . . . . 0.0 111.688 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.04 -40.73 95.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.594 1.158 . . . . 0.0 111.856 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.73 -35.82 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.202 1.001 . . . . 0.0 111.548 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 78.0 m -104.64 15.68 27.52 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 62.92 -102.95 0.56 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.019 1.295 . . . . 0.0 113.724 172.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.63 -12.31 56.15 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -102.21 150.11 23.62 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.731 1.213 . . . . 0.0 112.675 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -169.17 143.8 8.25 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.317 1.913 . . . . 0.0 110.992 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . 0.266 28.9 m-85 45.06 -102.21 0.06 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.506 1.522 . . . . 0.0 113.831 -169.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -140.14 131.95 27.51 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.2 1.0 . . . . 0.0 111.915 -175.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -91.56 -17.54 25.48 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.682 1.193 . . . . 0.0 112.909 169.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 59.6 m -140.46 131.98 14.15 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 126.808 2.043 . . . . 0.0 108.293 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.91 148.93 82.96 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 122.757 2.305 . . . . 0.0 112.975 -175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -96.94 17.7 16.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.474 1.51 . . . . 0.0 113.592 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 24.5 p -71.89 159.48 34.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.686 1.595 . . . . 0.0 113.142 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.413 1.885 . . . . 0.0 111.785 -177.786 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 tt -155.08 -47.56 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.069 1.348 . . . . 0.0 112.105 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.4 -44.51 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.704 0.802 . . . . 0.0 110.988 -173.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -58.46 -22.23 53.98 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.805 1.242 . . . . 0.0 113.146 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -87.93 -22.79 24.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.332 1.453 . . . . 0.0 113.137 -174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.44 -10.04 4.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.68 -37.64 11.73 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.979 1.312 . . . . 0.0 113.794 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 p -99.64 -59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.772 1.229 . . . . 0.0 109.638 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -67.0 151.64 47.27 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.604 1.161 . . . . 0.0 110.93 168.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 pt -68.68 156.0 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.693 0.797 . . . . 0.0 113.009 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.69 150.19 47.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.988 1.315 . . . . 0.0 113.898 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -147.62 156.06 42.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.406 1.882 . . . . 0.0 111.304 -176.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.34 -32.47 62.54 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.786 0.834 . . . . 0.0 112.297 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -65.32 -29.65 70.42 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.366 1.067 . . . . 0.0 113.17 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.02 -44.89 14.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.72 -38.7 85.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.755 1.222 . . . . 0.0 112.816 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -64.98 -26.25 68.22 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.06 -32.23 68.87 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.235 -0.916 . . . . 0.0 112.213 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -72.4 -18.31 61.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.348 -0.845 . . . . 0.0 112.673 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.6 m -68.38 -8.11 37.41 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -86.1 -3.41 58.95 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.284 0 C-N-CA 125.455 1.502 . . . . 0.0 114.158 179.263 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 1.6 t 53.74 -141.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 124.343 1.057 . . . . 0.0 110.718 -170.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -78.7 65.82 4.05 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.182 1.393 . . . . 0.0 112.462 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -137.4 147.08 45.16 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.723 2.009 . . . . 0.0 110.432 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.04 154.1 50.45 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.198 1.399 . . . . 0.0 113.239 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 22.5 tp -149.69 143.38 25.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.491 1.516 . . . . 0.0 112.19 -166.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 33.2 m -131.29 161.85 31.37 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 54.15 -140.19 36.09 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 125.513 1.53 . . . . 0.0 115.573 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.0 m -57.85 -29.23 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.342 1.057 . . . . 0.0 113.397 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.52 -28.85 62.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.321 -0.862 . . . . 0.0 112.834 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.2 -36.08 71.78 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.629 0.772 . . . . 0.0 111.327 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.37 -43.23 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.04 0.536 . . . . 0.0 110.66 170.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.64 -39.24 79.97 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.02 -1.05 . . . . 0.0 111.677 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.06 89.31 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.72 -35.64 77.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.867 1.212 . . . . 0.0 111.452 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.53 -35.71 81.37 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.506 0.722 . . . . 0.0 112.4 170.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.94 -35.19 72.11 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.944 -1.097 . . . . 0.0 112.351 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.37 -37.19 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.731 0.812 . . . . 0.0 112.292 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.7 m -107.34 -2.46 20.62 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -172.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 63.97 -138.26 41.73 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.595 1.093 . . . . 0.0 113.551 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.1 -14.7 51.64 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.947 1.299 . . . . 0.0 114.242 -175.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -64.93 -39.5 93.6 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.651 1.181 . . . . 0.0 113.086 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 56.83 -124.39 35.31 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -168.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -121.08 129.95 53.54 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.033 0.916 . . . . 0.0 111.8 166.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -168.64 145.21 3.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.318 2.247 . . . . 0.0 108.73 -173.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -75.51 132.71 40.93 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.863 1.211 . . . . 0.0 112.547 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 96.8 m -59.41 125.72 80.1 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 124.178 0.991 . . . . 0.0 111.82 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -64.99 149.21 89.72 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.984 2.456 . . . . 0.0 113.811 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 23.3 pttp 44.38 44.8 7.11 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.883 2.073 . . . . 0.0 115.71 170.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.2 p -61.73 152.01 32.33 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.977 1.311 . . . . 0.0 113.0 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.409 1.884 . . . . 0.0 111.452 -179.446 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.02 -47.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.496 1.518 . . . . 0.0 112.443 -171.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.9 t -63.45 -45.2 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.963 0.505 . . . . 0.0 110.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.67 -38.88 92.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.926 0.891 . . . . 0.0 112.408 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -61.04 -32.49 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.209 1.004 . . . . 0.0 113.069 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -100.88 -25.6 14.04 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -94.93 -31.39 13.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.427 1.467 . . . . 0.0 114.652 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -111.6 -35.71 5.7 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.102 0.864 . . . . 0.0 112.061 171.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 m -95.11 169.63 9.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.545 1.138 . . . . 0.0 110.493 167.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -87.14 152.68 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.725 -0.61 . . . . 0.0 110.513 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -131.33 -169.89 2.27 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.74 1.216 . . . . 0.0 112.427 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -133.75 156.01 48.74 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.98 1.712 . . . . 0.0 111.197 -173.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.67 -35.26 74.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.834 -0.541 . . . . 0.0 110.76 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.49 -35.67 80.08 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.185 -0.947 . . . . 0.0 112.573 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -74.84 -40.92 60.75 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.394 -0.816 . . . . 0.0 111.101 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.9 -34.46 74.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.07 0.948 . . . . 0.0 111.915 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.04 -40.92 87.29 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.198 -0.939 . . . . 0.0 112.227 170.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -71.02 -19.63 62.49 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.34 -16.59 62.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.701 1.137 . . . . 0.0 113.084 170.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t -68.19 142.59 55.64 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.338 1.055 . . . . 0.0 112.472 175.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -96.97 68.36 2.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.585 1.554 . . . . 0.0 110.646 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 C-N-CA 125.503 1.525 . . . . 0.0 113.424 -179.385 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 49.6 p90 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.377 0.132 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.88 155.95 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 125.33 1.452 . . . . 0.0 111.623 175.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -66.3 137.98 57.31 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 121.362 0.601 . . . . 0.0 110.877 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -151.35 168.6 24.31 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.982 0.913 . . . . 0.0 112.686 -168.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -123.15 137.43 54.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.082 1.353 . . . . 0.0 113.016 -170.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.5 mt -147.11 147.44 30.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.323 2.249 . . . . 0.0 110.739 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 83.5 m -129.91 153.05 48.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.011 1.324 . . . . 0.0 111.875 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.06 -130.32 28.13 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.818 1.199 . . . . 0.0 114.761 169.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -56.96 -30.05 63.74 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -75.85 -31.53 59.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.202 0.91 . . . . 0.0 112.848 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -45.26 78.43 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 109.552 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.07 -45.55 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.691 0.797 . . . . 0.0 111.384 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.95 -45.34 86.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.217 -0.927 . . . . 0.0 111.278 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.32 83.54 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -36.12 77.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.515 1.052 . . . . 0.0 111.137 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -68.36 -42.41 79.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.813 0.445 . . . . 0.0 112.156 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.2 -44.55 88.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.481 1.112 . . . . 0.0 112.259 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.66 -31.78 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.818 0.735 . . . . 0.0 111.059 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.15 12.18 8.37 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.09 -97.77 0.6 Allowed Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.327 1.442 . . . . 0.0 113.922 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.6 -5.67 23.63 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.664 1.585 . . . . 0.0 114.309 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -117.62 167.35 11.41 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.633 1.973 . . . . 0.0 111.307 -174.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -159.26 -149.77 5.62 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.393 1.473 . . . . 0.0 111.592 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -76.21 -29.09 57.48 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.712 1.256 . . . . 0.0 113.812 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 72.3 t80 63.27 -52.28 0.2 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.699 2.799 . . . . 0.0 116.617 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -144.64 155.02 43.4 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.266 1.826 . . . . 0.0 111.707 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.8 t -67.37 143.63 97.45 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 123.589 0.756 . . . . 0.0 112.726 -176.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.16 153.02 55.34 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 123.1 2.533 . . . . 0.0 114.14 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -122.25 155.53 35.7 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.729 1.612 . . . . 0.0 111.931 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.3 t -71.49 156.32 39.57 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.531 0.733 . . . . 0.0 112.559 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.283 1.833 . . . . 0.0 112.346 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.5 mm -109.81 -55.9 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.683 1.193 . . . . 0.0 111.627 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -72.74 -56.92 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.602 0.361 . . . . 0.0 111.661 -169.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -35.18 77.05 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.41 -0.806 . . . . 0.0 112.839 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.34 -26.91 66.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 113.056 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.9 t -106.24 -23.95 12.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.899 1.279 . . . . 0.0 113.777 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -101.82 -28.52 12.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -169.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -116.83 -36.91 3.74 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.999 0.818 . . . . 0.0 112.168 170.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -84.31 156.92 21.7 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.642 -0.661 . . . . 0.0 109.3 166.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.14 139.77 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-O 123.075 1.417 . . . . 0.0 113.077 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -105.55 152.19 23.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 127.117 2.167 . . . . 0.0 111.387 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.6 p -148.38 163.62 36.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.845 1.258 . . . . 0.0 111.566 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.84 -35.15 75.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 122.023 -0.423 . . . . 0.0 111.953 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -62.69 -36.96 84.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.655 -0.653 . . . . 0.0 112.306 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -76.37 -44.09 37.91 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.667 -0.646 . . . . 0.0 110.904 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.65 -34.0 73.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.998 0.919 . . . . 0.0 112.104 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.12 -42.35 72.75 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.07 -1.019 . . . . 0.0 112.014 171.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.92 -31.24 72.38 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.42 -0.8 . . . . 0.0 113.15 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.92 -28.11 69.3 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.324 0.965 . . . . 0.0 112.733 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t -88.27 -42.46 12.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.419 1.088 . . . . 0.0 112.609 173.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -78.54 -27.3 45.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -170.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.57 1.557 . . . . 0.0 114.08 -179.662 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.212 0.053 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.86 148.81 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.83 1.652 . . . . 0.0 110.83 172.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -64.57 137.56 57.91 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.574 0.75 . . . . 0.0 111.363 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -147.21 -177.6 5.77 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.539 1.935 . . . . 0.0 110.519 -168.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -119.3 146.01 45.63 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.954 -1.092 . . . . 0.0 112.404 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.38 152.64 45.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.141 1.776 . . . . 0.0 110.247 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.01 43.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.419 1.087 . . . . 0.0 111.745 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.09 -133.69 37.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.63 1.109 . . . . 0.0 114.861 169.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -61.39 -28.22 69.08 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -72.77 -36.61 67.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.196 0.907 . . . . 0.0 111.645 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.5 -48.34 79.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.534 1.134 . . . . 0.0 110.202 170.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.75 -45.0 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.44 0.696 . . . . 0.0 111.515 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.341 0.973 . . . . 0.0 111.866 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.13 -45.57 84.54 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.564 -0.71 . . . . 0.0 111.838 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -32.56 74.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.269 -0.895 . . . . 0.0 111.714 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -46.83 87.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.378 1.071 . . . . 0.0 111.7 173.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.12 -37.7 57.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.347 1.059 . . . . 0.0 112.318 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.98 -27.37 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.545 0.738 . . . . 0.0 111.525 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.93 -13.62 47.14 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.92 -168.56 43.35 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.008 1.29 . . . . 0.0 113.351 -176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.12 -17.29 57.32 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -171.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -69.33 -32.61 71.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.183 1.393 . . . . 0.0 113.263 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.88 -177.41 2.09 Favored Glycine 0 N--CA 1.468 0.815 0 CA-C-O 123.379 1.544 . . . . 0.0 115.717 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -90.81 -26.59 19.35 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.084 -1.558 . . . . 0.0 113.095 -172.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 22.0 t80 53.48 48.76 21.06 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.234 1.814 . . . . 0.0 113.737 170.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -134.16 147.93 50.85 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.001 1.32 . . . . 0.0 111.826 177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 57.1 m -131.4 130.53 22.56 Favored Pre-proline 0 N--CA 1.473 0.684 0 C-N-CA 125.859 1.664 . . . . 0.0 108.836 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -55.74 150.04 46.9 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.393 2.729 . . . . 0.0 115.001 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -140.79 151.75 44.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.388 1.875 . . . . 0.0 110.617 -176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 89.8 m -77.58 112.25 14.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.452 0.701 . . . . 0.0 109.72 171.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.321 1.848 . . . . 0.0 112.606 -175.366 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm -132.77 -57.53 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.248 1.419 . . . . 0.0 110.289 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.88 -46.15 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.188 0.595 . . . . 0.0 112.489 -169.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -60.01 -34.31 73.17 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.896 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -60.07 -30.72 69.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.346 1.058 . . . . 0.0 113.059 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -107.32 -17.87 14.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.85 -37.45 9.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -172.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.5 p -106.08 -36.9 6.79 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.238 1.015 . . . . 0.0 111.212 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 m -94.88 178.75 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.773 1.629 . . . . 0.0 109.576 166.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -107.58 159.05 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.105 -0.997 . . . . 0.0 113.475 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 m -137.56 154.57 49.78 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.375 1.47 . . . . 0.0 112.566 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -121.87 177.63 5.21 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.373 1.469 . . . . 0.0 111.042 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.78 -28.78 66.27 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.685 1.194 . . . . 0.0 111.89 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.01 -41.03 82.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.175 0.99 . . . . 0.0 112.543 172.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.7 -39.48 36.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.728 -0.608 . . . . 0.0 111.44 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.37 -19.87 66.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.619 0.768 . . . . 0.0 112.657 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -97.16 -2.42 43.01 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -87.4 -35.88 18.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.778 -1.201 . . . . 0.0 111.551 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -67.35 -23.84 65.65 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p -83.68 -19.82 34.64 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 170.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.61 -28.25 14.44 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.141 1.376 . . . . 0.0 113.217 -174.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 C-N-CA 125.663 1.601 . . . . 0.0 114.367 -179.66 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . 0.275 30.7 m 43.81 -135.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.303 1.441 . . . . 0.0 111.8 -171.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -79.64 19.12 0.67 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -121.41 147.65 45.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.272 1.429 . . . . 0.0 112.912 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -91.77 160.81 15.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.924 1.689 . . . . 0.0 114.672 -169.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 69.0 mt -138.96 131.42 28.64 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.577 2.351 . . . . 0.0 109.559 171.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 73.9 m -129.16 143.96 51.04 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.698 1.199 . . . . 0.0 111.544 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.26 -127.23 25.17 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.706 1.146 . . . . 0.0 113.985 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 22.2 m -57.59 -28.03 63.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.668 1.187 . . . . 0.0 114.182 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -70.37 -36.36 74.09 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.004 0.82 . . . . 0.0 111.623 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.18 -43.42 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.346 1.059 . . . . 0.0 110.608 174.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.7 t -63.24 -43.9 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.586 -0.696 . . . . 0.0 111.631 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.92 -44.48 97.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.56 92.14 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -34.15 72.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.383 0.992 . . . . 0.0 111.391 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -37.15 78.77 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.99 -34.26 76.2 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.374 0.988 . . . . 0.0 112.407 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -79.05 -44.24 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.151 0.981 . . . . 0.0 112.271 177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 9.8 t -95.15 -20.12 19.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.59 -152.39 33.69 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.641 1.115 . . . . 0.0 113.04 -175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.84 -6.9 13.53 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.764 1.226 . . . . 0.0 114.075 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -70.4 -9.71 57.09 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.808 2.043 . . . . 0.0 113.472 170.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -54.16 154.43 8.38 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 125.686 1.612 . . . . 0.0 115.081 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.42 166.22 23.93 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -173.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -140.11 160.62 39.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.148 0.979 . . . . 0.0 111.46 169.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -123.08 155.27 37.27 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.9 1.68 . . . . 0.0 111.388 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 34.9 p -94.51 158.09 36.13 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 124.899 1.28 . . . . 0.0 112.416 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.0 159.97 19.96 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.666 2.911 . . . . 0.0 114.232 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -136.53 149.69 48.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.98 1.712 . . . . 0.0 111.45 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 41.5 p -108.09 -5.87 16.78 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.681 1.593 . . . . 0.0 114.245 -176.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 125.509 1.524 . . . . 0.0 113.139 178.724 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 CA-C-O 119.372 -0.682 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.6 mm 64.1 -51.23 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 129.666 3.187 . . . . 0.0 115.431 173.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.11 -41.11 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.207 1.403 . . . . 0.0 112.096 -174.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.47 -30.43 53.0 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.208 1.403 . . . . 0.0 113.689 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.41 -23.25 65.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.812 1.245 . . . . 0.0 113.138 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.19 -10.15 5.87 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 172.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 t -89.84 -33.77 16.36 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.5 1.045 . . . . 0.0 113.391 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.6 p -113.48 -34.31 5.62 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.475 1.11 . . . . 0.0 111.622 173.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -97.66 -171.95 2.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.593 1.557 . . . . 0.0 109.725 166.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.59 153.2 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.303 1.041 . . . . 0.0 112.2 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.26 172.08 8.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.8 1.64 . . . . 0.0 112.683 -171.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 t -146.07 171.93 14.16 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.424 1.49 . . . . 0.0 110.681 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.5 mt -51.65 -37.23 49.43 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.522 1.529 . . . . 0.0 111.996 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -68.28 -14.29 62.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.29 1.436 . . . . 0.0 114.001 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -110.66 -37.42 5.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.454 1.502 . . . . 0.0 112.227 173.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.3 -30.69 68.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.675 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.02 -30.31 68.66 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.291 -0.881 . . . . 0.0 112.925 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -81.58 -29.49 33.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.317 1.047 . . . . 0.0 113.049 -174.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -68.34 -9.86 50.88 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.2 m -75.88 51.18 0.62 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.833 1.253 . . . . 0.0 112.787 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -68.26 125.44 26.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.976 1.31 . . . . 0.0 112.228 -174.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 C-N-CA 125.658 1.599 . . . . 0.0 113.151 173.238 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.49 142.89 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.928 0.891 . . . . 0.0 112.905 -175.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -89.56 40.62 1.0 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.576 1.55 . . . . 0.0 113.006 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -129.18 154.2 46.98 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.219 1.808 . . . . 0.0 111.288 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -74.98 151.1 38.84 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.9 mt -133.9 134.38 42.6 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.039 2.136 . . . . 0.0 108.965 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.6 t -137.19 154.27 50.24 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -173.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.74 -132.03 49.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.638 1.113 . . . . 0.0 113.074 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -55.59 -31.36 62.16 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.315 1.046 . . . . 0.0 113.657 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.44 -31.43 65.45 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.391 0.996 . . . . 0.0 112.867 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.29 -40.51 58.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.406 1.082 . . . . 0.0 110.84 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.39 -43.52 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.145 0.578 . . . . 0.0 110.531 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.95 -40.37 95.32 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.175 -0.953 . . . . 0.0 111.534 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.01 0.823 . . . . 0.0 112.895 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.46 -39.44 85.34 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.648 1.113 . . . . 0.0 111.345 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -62.44 -40.29 96.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.14 -37.29 83.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.064 -1.022 . . . . 0.0 112.525 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.17 -44.74 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.239 0.616 . . . . 0.0 112.389 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 7.2 p -89.4 -17.03 29.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.44 -154.73 30.22 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.92 1.248 . . . . 0.0 113.569 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -64.05 -16.42 61.66 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -172.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.98 83.14 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.717 1.207 . . . . 0.0 112.457 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.39 -151.45 18.05 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.414 1.483 . . . . 0.0 115.802 169.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.77 142.8 35.03 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.191 -1.182 . . . . 0.0 111.466 169.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 48.92 -120.06 1.3 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.033 2.133 . . . . 0.0 114.315 171.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -148.42 156.05 41.99 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.488 1.515 . . . . 0.0 111.693 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 15.2 t -141.2 137.3 16.62 Favored Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 125.009 1.324 . . . . 0.0 110.814 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -60.64 153.55 61.02 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.179 2.586 . . . . 0.0 114.852 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -128.55 154.66 45.94 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.269 1.828 . . . . 0.0 111.314 173.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 24.6 p -70.17 152.5 44.21 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.52 1.128 . . . . 0.0 112.334 176.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? . . . . . 0 C--O 1.252 1.191 0 C-N-CA 126.72 2.008 . . . . 0.0 111.452 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.348 9.3 tp 55.71 -41.56 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 130.868 3.667 . . . . 0.0 116.849 -176.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.71 -39.48 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.32 -1.488 . . . . 0.0 111.943 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -69.16 -7.64 38.14 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -85.73 -26.42 25.88 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.278 -0.889 . . . . 0.0 112.799 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -134.06 -18.95 2.02 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -169.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -90.59 -43.43 10.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.847 1.203 . . . . 0.0 112.297 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -77.71 -27.68 50.72 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -142.88 154.71 44.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.716 2.006 . . . . 0.0 110.65 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.78 150.1 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.883 0.873 . . . . 0.0 113.072 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -145.42 170.45 16.33 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.063 0.945 . . . . 0.0 112.317 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 m -126.04 155.93 40.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.648 1.179 . . . . 0.0 112.533 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.74 -36.11 71.62 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.648 -0.658 . . . . 0.0 112.589 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.72 -32.35 67.32 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.656 1.182 . . . . 0.0 113.393 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -84.78 -34.75 22.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.252 1.021 . . . . 0.0 111.857 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.85 -26.76 67.06 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 112.339 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.12 -22.36 50.55 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.007 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.76 -23.79 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.891 -1.13 . . . . 0.0 113.322 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -108.22 1.98 22.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.115 1.366 . . . . 0.0 113.512 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 p -115.53 165.26 13.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.51 1.124 . . . . 0.0 113.327 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -74.56 78.94 1.97 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.39 1.876 . . . . 0.0 112.098 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 C-N-CA 125.066 1.317 . . . . 0.0 112.543 173.51 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.702 0.287 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.7 m -70.37 154.23 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.516 1.126 . . . . 0.0 113.352 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -80.83 59.24 3.63 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.602 1.561 . . . . 0.0 112.316 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -105.26 135.62 46.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.128 1.371 . . . . 0.0 112.806 -170.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -90.04 138.83 31.18 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.711 1.205 . . . . 0.0 109.268 168.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.29 132.55 54.05 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.569 1.147 . . . . 0.0 109.592 172.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -142.2 149.24 39.42 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.979 0.911 . . . . 0.0 111.847 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.01 -131.35 36.98 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.156 0.884 . . . . 0.0 113.617 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.0 m -55.76 -30.05 60.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.84 1.256 . . . . 0.0 113.747 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -74.73 -28.45 60.79 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.33 0.968 . . . . 0.0 112.888 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.24 -45.72 65.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.929 1.292 . . . . 0.0 109.666 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -45.7 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.446 0.698 . . . . 0.0 110.752 173.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.1 -45.35 91.1 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.089 -1.007 . . . . 0.0 111.75 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.69 82.45 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.195 0.907 . . . . 0.0 113.37 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.59 -32.39 62.35 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.366 0.984 . . . . 0.0 112.085 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.54 -44.8 93.12 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.107 -0.996 . . . . 0.0 110.775 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.87 -37.46 79.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.741 1.616 . . . . 0.0 112.919 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.9 -29.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.676 1.125 . . . . 0.0 111.576 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 11.1 m -89.28 16.88 6.67 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.058 0.943 . . . . 0.0 113.366 168.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.65 -86.7 0.27 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.852 1.692 . . . . 0.0 112.97 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -136.04 4.41 2.98 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.937 1.695 . . . . 0.0 112.933 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -77.08 -13.27 59.98 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -168.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.29 -167.72 45.56 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.381 1.467 . . . . 0.0 116.364 170.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.15 149.35 33.04 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.3 1.44 . . . . 0.0 113.39 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.06 153.55 43.04 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.349 0.66 . . . . 0.0 112.507 168.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -136.92 18.25 3.02 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.064 1.345 . . . . 0.0 113.645 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 6.4 t -139.85 144.98 40.77 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 125.717 1.607 . . . . 0.0 111.695 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -74.44 -10.9 22.45 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 123.374 2.716 . . . . 0.0 113.309 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.76 154.05 42.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.547 1.139 . . . . 0.0 112.546 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 10.0 t -146.47 165.76 28.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.269 1.428 . . . . 0.0 111.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 125.994 1.717 . . . . 0.0 112.431 -176.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.7 mm -60.06 -55.1 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.0 1.32 . . . . 0.0 112.079 -171.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.43 -43.9 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.074 0.55 . . . . 0.0 111.295 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.5 -41.3 63.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.278 1.431 . . . . 0.0 112.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -66.14 -29.66 70.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.97 -15.38 16.14 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -87.96 -32.69 18.75 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.225 -0.922 . . . . 0.0 112.955 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -93.4 -19.8 20.95 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -151.57 169.04 23.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.102 1.761 . . . . 0.0 110.395 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -64.89 153.02 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 121.311 -0.868 . . . . 0.0 112.803 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -137.31 170.89 15.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.163 0.985 . . . . 0.0 113.133 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.5 p -117.33 168.36 10.41 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.617 1.967 . . . . 0.0 113.077 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -54.62 -39.97 68.46 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.532 -0.73 . . . . 0.0 111.673 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.82 -23.01 65.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.774 0.83 . . . . 0.0 112.972 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -85.41 -36.67 20.53 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.62 0.768 . . . . 0.0 111.27 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.87 -33.7 74.67 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.645 -0.659 . . . . 0.0 111.157 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.85 -4.42 27.93 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.427 1.491 . . . . 0.0 114.825 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -110.59 -24.72 10.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.862 1.265 . . . . 0.0 113.509 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -71.99 -22.74 61.38 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 p -73.81 156.78 37.43 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -66.11 106.33 1.6 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.603 1.561 . . . . 0.0 112.307 -173.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.121 0 C-N-CA 125.3 1.428 . . . . 0.0 112.844 178.234 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 93.5 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.634 0.254 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -142.86 146.89 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.841 1.657 . . . . 0.0 109.78 171.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -65.44 138.83 58.37 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 122.69 0.396 . . . . 0.0 111.528 -176.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -140.34 156.9 46.26 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.196 1.398 . . . . 0.0 111.214 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -93.64 140.5 29.56 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.099 0.96 . . . . 0.0 110.959 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.65 143.37 28.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.287 1.835 . . . . 0.0 110.029 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.62 156.82 46.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.395 0.678 . . . . 0.0 112.045 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.09 -134.79 47.95 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.061 0.839 . . . . 0.0 114.115 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.9 p -56.53 -31.93 64.62 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.66 -35.7 70.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.226 0.921 . . . . 0.0 111.86 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.9 -40.78 71.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.06 0.944 . . . . 0.0 112.047 173.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.8 -47.42 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.813 0.845 . . . . 0.0 110.426 173.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.45 -41.14 98.53 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.275 -0.891 . . . . 0.0 111.662 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.91 95.42 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.252 3.9 pp -73.65 -30.3 62.85 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.942 1.246 . . . . 0.0 112.451 174.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.05 -29.18 68.9 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.348 0.977 . . . . 0.0 113.291 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.51 -40.61 22.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.145 0.978 . . . . 0.0 112.802 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 97.0 t -88.72 -33.16 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.857 0.863 . . . . 0.0 112.639 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 23.9 t -108.03 -3.46 18.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.001 1.32 . . . . 0.0 113.536 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.59 -141.58 32.36 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 120.857 -1.152 . . . . 0.0 114.422 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -65.6 -10.63 37.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.749 1.62 . . . . 0.0 114.61 -170.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -56.23 -41.65 76.02 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.76 1.224 . . . . 0.0 112.519 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 61.89 -160.59 29.79 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.071 0.843 . . . . 0.0 114.442 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -81.94 154.84 25.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.228 1.011 . . . . 0.0 113.26 -175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -61.12 149.41 37.32 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.793 0.837 . . . . 0.0 112.978 173.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -74.19 156.29 37.46 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.094 0.958 . . . . 0.0 112.139 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 17.5 p -70.78 142.3 88.17 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 123.803 0.841 . . . . 0.0 112.117 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -75.11 158.02 42.01 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.327 2.685 . . . . 0.0 112.696 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -75.68 0.64 17.01 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.312 1.445 . . . . 0.0 114.872 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 36.5 p -78.61 -13.2 59.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.838 1.655 . . . . 0.0 114.415 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 30.1 ptt-85 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.072 1.749 . . . . 0.0 113.298 -178.498 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.4 -42.37 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.516 -0.74 . . . . 0.0 111.044 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -34.07 71.59 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -67.73 -13.27 61.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.266 1.027 . . . . 0.0 113.754 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.84 -18.66 9.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.402 1.081 . . . . 0.0 113.818 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.98 -51.71 5.67 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.045 -1.034 . . . . 0.0 112.888 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.8 p -88.89 -18.23 27.98 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 121.232 -0.918 . . . . 0.0 113.204 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.3 m -136.18 151.78 50.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.906 2.082 . . . . 0.0 109.847 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.5 pt -63.53 150.25 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -129.47 163.21 26.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -104.43 171.61 7.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.589 1.956 . . . . 0.0 113.834 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.08 -37.63 74.85 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.363 -0.836 . . . . 0.0 111.617 169.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.03 66.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -80.54 -41.01 24.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.646 0.779 . . . . 0.0 110.848 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.57 -31.49 72.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.871 0.868 . . . . 0.0 111.818 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.16 -46.29 77.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.066 -1.021 . . . . 0.0 111.453 168.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.67 -36.77 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.62 -0.675 . . . . 0.0 112.747 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -66.03 -17.09 64.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 124.148 0.979 . . . . 0.0 112.586 171.405 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -144.45 134.58 24.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.896 1.678 . . . . 0.0 110.289 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 82.9 m -127.37 150.08 49.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.534 1.134 . . . . 0.0 111.689 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.48 -126.63 28.61 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.701 1.143 . . . . 0.0 114.364 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.8 m -58.74 -28.68 66.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.44 1.096 . . . . 0.0 113.61 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -75.08 -35.18 61.82 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.258 0.935 . . . . 0.0 111.852 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.92 -41.71 86.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.177 0.991 . . . . 0.0 110.897 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.4 -50.97 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.044 0.537 . . . . 0.0 111.129 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.71 -43.28 90.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.307 0.958 . . . . 0.0 111.837 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.28 87.85 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -36.92 84.49 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.602 1.092 . . . . 0.0 111.182 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.42 -44.14 88.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.609 0.764 . . . . 0.0 111.279 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -41.03 78.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.852 0.861 . . . . 0.0 112.434 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.12 -32.28 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.453 0.701 . . . . 0.0 111.269 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.552 1.045 0 C-N-CA 124.776 1.23 . . . . 0.0 114.021 172.857 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.27 -43.24 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.189 -0.945 . . . . 0.0 109.455 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.41 18.97 0.27 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.14 1.376 . . . . 0.0 114.203 174.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -125.86 -53.26 1.54 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 111.169 169.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.22 -9.96 43.38 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -102.52 -32.49 9.91 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.496 1.043 . . . . 0.0 112.457 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 p -78.08 -26.67 48.29 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.123 1.369 . . . . 0.0 113.135 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -136.07 175.16 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.622 1.969 . . . . 0.0 110.304 172.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.26 142.52 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 122.436 1.113 . . . . 0.0 112.429 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -94.48 163.24 13.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 t -149.91 154.33 38.13 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.98 1.712 . . . . 0.0 110.19 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.11 -37.45 34.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.974 0.91 . . . . 0.0 112.32 169.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.47 -29.36 69.46 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.274 1.03 . . . . 0.0 113.079 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -82.25 -39.91 22.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.122 0.969 . . . . 0.0 110.798 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.94 -38.71 91.86 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.725 1.21 . . . . 0.0 112.457 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.77 -28.27 68.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 175.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -63.69 -33.09 74.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.414 -0.804 . . . . 0.0 112.142 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -71.12 -21.55 62.19 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.515 0.726 . . . . 0.0 112.737 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.2 m . . . . . 0 CA--C 1.551 0.998 0 C-N-CA 125.226 1.41 . . . . 0.0 113.084 168.808 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.49 134.63 41.7 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.782 1.633 . . . . 0.0 110.526 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.76 154.55 47.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.71 1.204 . . . . 0.0 111.758 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.48 -125.46 10.8 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.267 1.413 . . . . 0.0 114.942 168.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 10.1 t -57.45 -37.17 72.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.435 1.094 . . . . 0.0 113.096 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.86 -33.82 72.77 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.33 -0.856 . . . . 0.0 112.248 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 42.8 tp -70.83 -39.14 73.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.15 0.98 . . . . 0.0 111.391 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.2 -46.21 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.239 0.616 . . . . 0.0 110.899 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.67 -42.95 99.62 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.376 -0.828 . . . . 0.0 111.672 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.32 93.75 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.517 -0.739 . . . . 0.0 112.979 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -28.95 61.57 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.661 0.664 . . . . 0.0 112.12 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -44.7 86.55 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.196 -0.94 . . . . 0.0 111.084 169.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.48 -36.73 81.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.252 1.021 . . . . 0.0 113.243 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.3 -34.47 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.451 1.023 . . . . 0.0 112.409 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.307 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.56 -42.13 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.239 0.615 . . . . 0.0 110.468 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.57 20.18 0.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.005 -1.059 . . . . 0.0 113.615 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -122.27 -46.43 2.18 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.952 1.701 . . . . 0.0 111.168 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.13 -14.28 27.41 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.32 -16.88 26.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.006 0.922 . . . . 0.0 112.059 171.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -102.86 -39.89 6.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.752 2.021 . . . . 0.0 112.794 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -118.09 168.54 10.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.035 2.134 . . . . 0.0 109.747 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.58 153.57 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 120.716 -1.24 . . . . 0.0 111.176 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.3 m -136.24 155.25 50.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.274 1.03 . . . . 0.0 112.651 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -121.57 151.75 40.01 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.309 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.78 -36.61 67.55 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -65.87 -16.54 63.94 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -90.57 -24.88 20.45 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.248 1.819 . . . . 0.0 111.329 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.8 mt -81.68 -31.13 32.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.362 1.065 . . . . 0.0 112.969 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.38 -18.17 57.51 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -56.82 -33.56 66.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.663 1.185 . . . . 0.0 112.73 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -5.87 59.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.619 1.168 . . . . 0.0 113.989 -175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.1 m . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 173.868 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.1 mt -136.74 125.86 24.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.399 1.88 . . . . 0.0 109.439 171.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.83 143.17 51.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.041 1.336 . . . . 0.0 110.931 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.01 -125.69 20.3 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.354 0.978 . . . . 0.0 114.023 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.9 m -59.13 -29.37 67.36 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -71.32 -35.16 71.14 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.37 0.987 . . . . 0.0 111.661 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.09 -45.25 74.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.183 1.393 . . . . 0.0 110.666 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.42 -43.35 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 111.059 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.04 -41.52 96.74 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.989 -1.07 . . . . 0.0 111.911 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.84 84.77 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -28.75 65.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.152 0.887 . . . . 0.0 112.156 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.3 -49.12 68.14 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.242 -0.911 . . . . 0.0 111.274 168.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.01 -40.33 97.43 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.246 1.019 . . . . 0.0 112.976 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.81 -29.42 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.219 0.918 . . . . 0.0 112.512 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 CA--C 1.548 0.872 0 C-N-CA 124.425 1.09 . . . . 0.0 113.777 178.016 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.2 -42.98 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.146 0.578 . . . . 0.0 112.053 -173.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.95 -35.08 68.68 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.66 0.784 . . . . 0.0 112.891 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -63.01 -29.48 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.943 0.897 . . . . 0.0 113.179 -173.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -112.66 -19.83 11.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -92.52 -37.71 12.35 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.192 1.36 . . . . 0.0 113.858 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.1 p -107.92 -31.64 7.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.342 1.057 . . . . 0.0 111.992 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -98.36 161.31 13.75 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.561 1.544 . . . . 0.0 109.952 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -88.58 155.18 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -145.07 164.4 31.33 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -174.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -118.44 161.92 19.19 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.899 2.08 . . . . 0.0 113.114 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -54.69 -38.26 66.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.094 0.957 . . . . 0.0 112.857 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -70.82 -17.11 62.76 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -86.57 -37.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.027 0.931 . . . . 0.0 110.886 169.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.99 -34.63 78.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.412 0.685 . . . . 0.0 111.495 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.16 -29.19 67.26 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -68.89 -35.28 76.67 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.197 -0.939 . . . . 0.0 112.179 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.22 -18.83 63.18 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.643 1.177 . . . . 0.0 112.766 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 127.109 2.164 . . . . 0.0 112.901 173.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 73.4 mt -137.24 134.25 35.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.026 2.13 . . . . 0.0 108.722 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.06 152.8 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.275 0.63 . . . . 0.0 112.171 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.86 -130.75 36.05 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.11 0.862 . . . . 0.0 112.836 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 16.5 m -56.67 -28.36 60.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -73.56 -33.71 64.81 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.598 1.09 . . . . 0.0 112.117 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tt -68.2 -44.33 76.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 109.889 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.28 -44.84 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.446 0.698 . . . . 0.0 111.151 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.29 -46.21 86.5 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.166 -0.959 . . . . 0.0 111.554 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.04 90.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.95 -35.91 67.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.098 0.863 . . . . 0.0 111.591 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.82 -40.18 91.59 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.209 -0.932 . . . . 0.0 111.582 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 47.2 mt -67.87 -42.73 80.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.594 0.633 . . . . 0.0 112.486 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.84 -31.4 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.254 0.933 . . . . 0.0 112.132 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 27.8 m . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 174.896 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.29 -41.38 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -169.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.5 -28.89 65.81 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -67.86 -31.43 71.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.585 -0.697 . . . . 0.0 111.988 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.99 -24.22 10.49 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.84 -49.42 6.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.345 0.975 . . . . 0.0 113.092 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.8 p -94.5 -37.99 11.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.837 0.855 . . . . 0.0 111.727 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -95.16 -174.92 3.36 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.155 1.382 . . . . 0.0 110.068 167.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.15 153.4 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.474 1.11 . . . . 0.0 111.886 170.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.6 p -137.12 157.79 45.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.972 0.909 . . . . 0.0 113.222 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -103.73 161.86 13.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.26 1.824 . . . . 0.0 112.941 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.82 -37.73 69.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.083 0.953 . . . . 0.0 112.384 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -72.0 -17.8 62.02 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.99 -38.82 17.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.068 0.947 . . . . 0.0 111.012 171.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.36 -34.39 73.79 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.769 0.828 . . . . 0.0 111.507 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.37 -30.93 71.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.308 1.043 . . . . 0.0 113.232 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.48 -27.52 61.44 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.708 -1.245 . . . . 0.0 112.06 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.22 -15.79 61.94 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.241 -0.912 . . . . 0.0 112.747 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 m . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 125.865 1.666 . . . . 0.0 113.639 173.868 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 CA--C 1.537 0.454 0 CA-C-O 121.07 0.462 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 21.9 mt -140.58 125.77 18.61 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.504 1.922 . . . . 0.0 108.705 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.3 t -138.15 147.33 43.78 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.65 -123.93 24.9 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.998 0.808 . . . . 0.0 113.068 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 24.9 p -56.71 -29.33 62.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -75.25 -32.13 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.452 1.024 . . . . 0.0 111.812 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.33 -43.14 70.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.749 1.219 . . . . 0.0 110.135 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.3 -47.54 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.341 0.657 . . . . 0.0 110.979 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.14 -40.13 84.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.02 -1.05 . . . . 0.0 111.994 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.65 82.77 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.59 -29.84 65.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.956 1.253 . . . . 0.0 111.648 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.99 -36.41 79.98 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.091 -1.006 . . . . 0.0 112.119 168.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 53.0 mt -68.36 -32.9 73.31 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.727 -1.233 . . . . 0.0 112.101 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.96 -40.83 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.624 0.77 . . . . 0.0 112.401 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 70.1 m . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -170.05 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.61 -45.03 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.298 0.499 . . . . 0.0 110.431 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.68 -41.51 86.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.28 1.032 . . . . 0.0 111.85 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -61.53 -20.49 63.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.339 1.455 . . . . 0.0 113.805 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.09 -3.53 13.96 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -106.92 -46.69 3.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.61 1.095 . . . . 0.0 113.495 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -94.48 -33.53 13.05 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.935 0.788 . . . . 0.0 111.704 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 p -111.47 172.62 6.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.556 1.942 . . . . 0.0 110.345 168.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 pt -93.64 151.11 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.048 0.939 . . . . 0.0 113.037 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -142.22 169.86 16.8 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.239 1.016 . . . . 0.0 112.003 169.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 p -129.38 -179.3 5.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.027 1.731 . . . . 0.0 112.539 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.12 -33.51 52.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.296 1.038 . . . . 0.0 112.637 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -71.08 -17.65 62.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.458 1.103 . . . . 0.0 113.415 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -94.48 -35.95 12.08 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.034 0.933 . . . . 0.0 111.676 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.83 -31.75 72.88 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.372 -0.83 . . . . 0.0 112.013 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.44 -5.82 51.21 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 168.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -95.57 -45.34 7.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.131 -0.981 . . . . 0.0 111.819 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.27 -26.84 68.67 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 CA--C 1.546 0.805 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.841 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 78.1 mt -142.99 144.06 32.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.716 2.006 . . . . 0.0 110.344 169.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.67 153.91 46.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.525 1.13 . . . . 0.0 112.769 -170.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.78 -132.02 36.05 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.971 1.272 . . . . 0.0 114.529 169.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.8 m -57.69 -29.28 64.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.209 1.004 . . . . 0.0 113.417 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.6 -28.41 60.89 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.298 -0.877 . . . . 0.0 112.868 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.92 -43.68 71.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.426 0.69 . . . . 0.0 109.99 170.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.07 -44.09 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.273 0.629 . . . . 0.0 111.455 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.14 -33.98 74.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 112.114 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.38 88.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.292 -0.88 . . . . 0.0 112.395 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.25 -48.32 80.79 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.629 1.104 . . . . 0.0 109.572 169.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -67.35 -8.96 36.63 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -107.53 -35.36 6.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.029 1.332 . . . . 0.0 113.433 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.37 -38.65 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.251 1.02 . . . . 0.0 112.052 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 25.9 t . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 125.361 1.464 . . . . 0.0 112.24 174.765 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -71.88 -38.94 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.008 0.523 . . . . 0.0 112.084 -170.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.47 -39.47 73.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.467 1.107 . . . . 0.0 112.75 -173.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.08 -33.16 73.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.654 1.182 . . . . 0.0 113.351 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.45 -8.27 15.62 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.37 -39.65 12.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.947 0.899 . . . . 0.0 111.84 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.2 p -85.01 -20.85 29.85 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -141.97 161.55 37.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.756 2.022 . . . . 0.0 110.897 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 pt -70.48 153.15 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.337 0.655 . . . . 0.0 112.296 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.7 m -135.22 158.52 44.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.763 1.225 . . . . 0.0 113.565 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -105.94 159.65 15.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.642 1.577 . . . . 0.0 111.575 170.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -54.04 -33.76 58.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 112.93 -173.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.716 0.806 . . . . 0.0 113.156 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -73.28 -34.29 65.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.823 0.849 . . . . 0.0 110.902 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.48 -39.18 71.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.855 0.862 . . . . 0.0 111.112 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -62.05 -35.79 79.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.783 0.833 . . . . 0.0 112.129 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.41 -29.21 67.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.127 0.971 . . . . 0.0 113.353 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.9 -5.8 54.55 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 126.059 1.743 . . . . 0.0 112.996 177.726 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 121.209 0.528 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.0 109.72 15.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.646 1.579 . . . . 0.0 109.518 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 81.4 m -122.18 140.22 52.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.249 1.419 . . . . 0.0 110.847 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.71 -120.62 12.42 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.123 0.868 . . . . 0.0 113.135 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 26.3 m -59.28 -25.52 64.18 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -74.74 -29.52 61.19 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.798 1.181 . . . . 0.0 112.053 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -47.86 70.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.751 1.221 . . . . 0.0 109.824 171.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.45 -49.69 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 111.032 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.98 -41.54 96.66 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.61 83.54 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.11 -32.33 70.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.017 1.28 . . . . 0.0 111.888 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.27 -34.05 72.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.037 0.835 . . . . 0.0 112.736 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -69.63 -37.45 76.82 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.072 -1.017 . . . . 0.0 112.61 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.28 -45.31 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.575 0.625 . . . . 0.0 111.973 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -171.079 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.2 mm . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -43.76 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.871 0.869 . . . . 0.0 112.253 -171.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.52 -46.0 77.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.552 1.141 . . . . 0.0 111.867 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -66.87 -36.93 83.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.54 -15.6 21.55 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 t -86.79 -38.82 16.5 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.308 -0.87 . . . . 0.0 111.544 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.4 p -86.7 -19.18 29.58 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -143.86 160.71 40.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.517 1.927 . . . . 0.0 111.359 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.21 147.28 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.139 -0.975 . . . . 0.0 112.711 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -119.56 153.36 35.52 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.696 1.198 . . . . 0.0 113.936 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 m -100.5 163.21 12.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.27 1.828 . . . . 0.0 111.991 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.34 -40.85 65.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.702 0.801 . . . . 0.0 111.774 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.91 -20.54 65.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.476 1.11 . . . . 0.0 113.802 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -85.87 -46.92 10.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.97 0.908 . . . . 0.0 110.795 172.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.34 -31.84 73.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.191 0.996 . . . . 0.0 112.813 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.18 -16.05 61.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.299 1.04 . . . . 0.0 113.387 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -87.26 -29.64 21.5 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.986 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -73.88 -21.56 60.04 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -172.264 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.121 0.486 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 74.2 mt -140.92 126.58 19.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.312 1.845 . . . . 0.0 109.342 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.19 145.44 43.69 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.553 0.741 . . . . 0.0 111.236 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.57 -127.25 33.62 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.216 0.912 . . . . 0.0 113.219 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.1 p -56.06 -31.43 63.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 114.192 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -71.09 -33.82 70.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.425 1.012 . . . . 0.0 111.883 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.72 -43.37 69.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.506 1.122 . . . . 0.0 110.609 174.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.01 -45.61 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.443 0.697 . . . . 0.0 111.195 174.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.4 -42.07 99.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.476 -0.765 . . . . 0.0 111.616 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.51 93.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.93 -29.94 68.3 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.666 -1.272 . . . . 0.0 112.282 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.43 -19.68 62.96 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.09 -40.13 14.03 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.128 0.971 . . . . 0.0 112.15 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.03 -41.67 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.926 0.89 . . . . 0.0 112.104 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 34.2 t . . . . . 0 CA--C 1.549 0.904 0 C-N-CA 124.886 1.274 . . . . 0.0 113.339 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.28 -50.08 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 122.861 0.464 . . . . 0.0 110.469 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -57.98 -39.62 78.64 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.943 0.897 . . . . 0.0 112.05 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.78 -25.29 64.79 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.66 -18.0 12.88 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 171.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -97.13 -36.79 10.36 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.2 p -109.25 -32.15 7.3 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.618 1.167 . . . . 0.0 111.64 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -93.54 155.33 17.38 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.459 1.504 . . . . 0.0 109.318 166.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -73.55 144.72 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 120.978 -1.076 . . . . 0.0 112.87 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -110.15 148.95 30.8 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.573 1.949 . . . . 0.0 112.653 -169.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -154.0 157.18 38.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.683 1.593 . . . . 0.0 111.447 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.48 -45.77 13.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.3 1.04 . . . . 0.0 112.467 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.52 -3.75 19.54 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -97.7 -48.39 5.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.357 1.463 . . . . 0.0 110.391 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.52 -29.25 69.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.18 -15.41 14.63 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.021 1.328 . . . . 0.0 114.266 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -89.39 -50.4 6.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 110.92 174.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -70.69 -5.53 30.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.033 1.333 . . . . 0.0 114.577 -169.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 174.342 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 99.5 mt -137.45 135.77 37.17 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.427 2.291 . . . . 0.0 109.351 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 1.7 t -137.56 153.83 49.9 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.583 0.753 . . . . 0.0 112.398 -172.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.95 -130.78 36.47 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 123.968 0.794 . . . . 0.0 113.876 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 30.9 p -58.54 -27.97 65.04 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -73.12 -32.89 65.21 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.793 1.179 . . . . 0.0 112.104 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.53 -46.86 74.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.607 1.163 . . . . 0.0 110.206 171.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.71 -42.47 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.377 0.671 . . . . 0.0 111.852 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -39.7 93.99 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.006 -1.059 . . . . 0.0 111.776 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.21 87.27 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.11 -30.29 70.27 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.455 1.48 . . . . 0.0 112.21 176.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.0 -42.17 81.15 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.737 -0.602 . . . . 0.0 112.045 170.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 73.4 mt -71.35 -35.45 71.17 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.07 -1.019 . . . . 0.0 113.016 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.72 -33.85 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.715 1.206 . . . . 0.0 111.874 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 58.3 m . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -174.296 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.69 -38.85 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.278 -0.889 . . . . 0.0 110.88 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -74.61 1.16 12.8 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.574 1.15 . . . . 0.0 114.075 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.82 -40.78 8.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.604 1.162 . . . . 0.0 112.054 170.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -114.42 -16.98 11.87 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.48 -50.97 6.84 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.865 1.211 . . . . 0.0 110.816 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 p -85.25 -13.11 50.84 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.426 1.49 . . . . 0.0 114.033 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.8 169.63 17.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.953 1.701 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.5 138.33 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 0.0 110.898 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.93 163.24 26.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.2 1.4 . . . . 0.0 113.068 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -132.75 153.98 50.67 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.72 2.008 . . . . 0.0 110.436 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.7 -32.93 45.23 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.043 0.937 . . . . 0.0 113.342 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.62 -25.01 65.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.33 1.452 . . . . 0.0 113.876 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -87.55 -33.09 19.05 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.805 1.642 . . . . 0.0 111.788 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.56 -25.62 65.0 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.92 -22.53 5.68 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.927 1.291 . . . . 0.0 114.202 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -60.99 -42.12 97.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.494 1.118 . . . . 0.0 112.379 175.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -83.36 -10.89 58.18 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 126.008 1.723 . . . . 0.0 115.0 176.591 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 121.007 0.432 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 64.0 mt -140.19 120.42 13.86 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.244 1.818 . . . . 0.0 109.422 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.0 146.24 48.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.88 0.872 . . . . 0.0 111.574 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.46 -126.02 27.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.126 0.87 . . . . 0.0 113.178 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -57.81 -29.26 64.76 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -71.49 -34.07 69.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.645 1.111 . . . . 0.0 111.673 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.51 -46.37 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.312 1.045 . . . . 0.0 110.198 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.83 -46.66 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.995 0.918 . . . . 0.0 111.073 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.44 -36.65 78.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.619 0.768 . . . . 0.0 111.947 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.71 85.17 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.22 0.918 . . . . 0.0 113.085 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.25 -48.58 79.29 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 109.643 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -67.91 -21.42 65.13 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.08 -43.06 22.46 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.124 -0.985 . . . . 0.0 112.251 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.1 p -84.46 -31.97 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 125.326 1.451 . . . . 0.0 113.839 -179.706 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 120.568 0.223 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.84 -44.79 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.266 1.426 . . . . 0.0 111.89 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -58.2 -30.7 66.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.626 1.171 . . . . 0.0 113.517 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -73.15 -8.17 54.58 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.765 1.626 . . . . 0.0 114.561 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 m -125.57 -17.08 5.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.073 1.749 . . . . 0.0 113.609 168.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.43 -33.75 17.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.392 1.077 . . . . 0.0 112.806 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.1 p -74.62 -32.44 62.31 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 120.764 -1.21 . . . . 0.0 113.091 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.8 p -157.79 165.41 35.39 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.284 1.834 . . . . 0.0 111.017 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 pt -58.28 143.17 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.633 0.773 . . . . 0.0 111.976 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.3 p -128.98 178.05 6.67 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -168.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -85.05 151.36 24.21 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.513 0.725 . . . . 0.0 112.687 -173.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.88 -33.28 73.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.431 169.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -65.2 -27.9 69.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.259 1.024 . . . . 0.0 113.225 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.77 -45.19 62.43 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.499 -0.751 . . . . 0.0 110.101 173.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.44 -31.57 72.4 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.335 -0.853 . . . . 0.0 112.61 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.69 -11.59 60.69 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.079 0.952 . . . . 0.0 113.406 169.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -97.18 -30.22 13.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.421 1.488 . . . . 0.0 112.435 174.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -77.14 -23.98 51.66 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.873 0.76 . . . . 0.0 112.64 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 CA--C 1.547 0.863 0 C-N-CA 123.999 0.919 . . . . 0.0 112.883 171.152 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 121.127 0.489 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.0 89.01 4.4 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.727 1.211 . . . . 0.0 109.002 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.3 m -116.91 142.66 46.65 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.121 1.768 . . . . 0.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.88 -123.77 18.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.975 0.798 . . . . 0.0 113.726 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.3 m -56.31 -30.97 63.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -71.68 -32.45 67.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.44 1.018 . . . . 0.0 112.434 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.21 -41.11 70.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.206 0.603 . . . . 0.0 111.867 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.78 -47.64 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.499 0.72 . . . . 0.0 110.11 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.21 -44.52 92.26 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.344 0.658 . . . . 0.0 111.73 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.74 99.91 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.25 3.8 pp -72.25 -30.98 65.38 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.077 1.308 . . . . 0.0 112.026 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -70.63 -15.22 62.72 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 74.1 mt -94.91 -39.92 9.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.636 1.174 . . . . 0.0 112.778 172.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.4 t -84.13 -35.51 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.984 0.914 . . . . 0.0 112.251 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 124.894 1.278 . . . . 0.0 113.149 175.834 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.4 mm . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.567 0.222 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.4 -46.34 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.569 0.748 . . . . 0.0 112.064 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -67.83 -29.76 68.99 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.041 -1.037 . . . . 0.0 113.288 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -68.7 -27.79 66.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.216 1.007 . . . . 0.0 113.656 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 t -118.41 -18.76 9.1 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -97.44 -51.8 4.02 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.769 1.168 . . . . 0.0 112.803 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 p -90.71 -5.87 55.19 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.276 1.03 . . . . 0.0 113.723 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -139.36 162.47 34.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.083 2.153 . . . . 0.0 110.21 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.84 154.58 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.33 165.59 26.79 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 113.111 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -138.08 169.1 18.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.556 1.942 . . . . 0.0 110.444 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.1 mt -55.25 -36.26 65.87 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 111.535 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -64.89 -31.59 72.9 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -83.99 -35.23 24.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.671 1.188 . . . . 0.0 110.989 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.56 -35.83 81.78 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.623 0.769 . . . . 0.0 111.289 170.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -68.36 -26.39 65.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.938 0.895 . . . . 0.0 113.008 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.44 -24.16 64.7 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.076 -1.015 . . . . 0.0 112.803 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -78.12 -19.88 53.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.195 0.998 . . . . 0.0 113.527 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 112.849 174.908 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 CA--C 1.545 0.751 0 CA-C-O 120.525 0.202 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -132.1 143.78 50.26 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.929 2.092 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.04 156.94 47.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.508 0.723 . . . . 0.0 112.077 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.2 -131.45 37.78 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.656 1.122 . . . . 0.0 114.077 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -55.99 -32.26 63.78 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.576 1.15 . . . . 0.0 113.753 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.69 -33.28 64.36 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.267 0.94 . . . . 0.0 112.843 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -46.87 73.45 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.182 0.993 . . . . 0.0 109.577 171.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -47.52 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.216 1.007 . . . . 0.0 111.514 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.6 -46.05 87.57 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.41 -0.806 . . . . 0.0 111.989 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -41.94 77.5 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.415 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -56.92 -43.31 81.3 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.409 1.004 . . . . 0.0 112.635 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.03 -34.21 77.5 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.941 0.897 . . . . 0.0 112.693 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 63.6 t -74.12 -36.29 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.658 0.783 . . . . 0.0 112.789 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.325 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.63 -42.08 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 110.471 -176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -78.16 12.46 1.85 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -122.64 -30.23 3.92 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.076 1.75 . . . . 0.0 112.384 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -113.95 -19.98 11.22 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.7 t -97.57 -44.38 6.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.974 1.261 . . . . 0.0 112.077 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.1 p -74.09 -23.72 59.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.483 1.113 . . . . 0.0 113.44 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -148.05 167.57 24.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.458 1.903 . . . . 0.0 110.497 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 pt -61.21 146.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.797 . . . . 0.0 112.941 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -142.97 174.53 10.59 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.949 . . . . 0.0 111.562 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -125.67 157.72 36.57 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.261 1.424 . . . . 0.0 113.034 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -54.24 -36.39 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.105 1.362 . . . . 0.0 111.718 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.18 -18.62 64.65 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -87.89 -31.9 19.24 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.649 1.18 . . . . 0.0 111.702 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.6 -25.63 68.32 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.043 0.838 . . . . 0.0 113.111 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.78 -24.67 62.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 170.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.98 -26.28 65.84 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.054 -1.029 . . . . 0.0 112.802 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -105.77 -8.78 17.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 -171.509 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 120.702 0.287 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 58.9 mt -141.89 138.02 31.78 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.059 2.144 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.73 156.35 45.61 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.558 0.743 . . . . 0.0 112.409 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.03 -134.17 36.47 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.093 0.854 . . . . 0.0 114.006 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.7 m -59.91 -28.16 67.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -70.88 -36.28 72.7 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.455 1.025 . . . . 0.0 111.757 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 46.0 tp -70.46 -39.7 74.11 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.209 1.004 . . . . 0.0 111.883 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.5 -48.32 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.79 0.436 . . . . 0.0 110.602 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.26 -42.57 81.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.618 -0.676 . . . . 0.0 111.337 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.8 84.88 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.75 -31.15 67.87 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.195 1.361 . . . . 0.0 112.016 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.32 -46.54 69.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.01 0.524 . . . . 0.0 111.688 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.04 -40.73 95.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.594 1.158 . . . . 0.0 111.856 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.73 -35.82 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.202 1.001 . . . . 0.0 111.548 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -178.5 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 tt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.4 -44.51 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.704 0.802 . . . . 0.0 110.988 -173.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -58.46 -22.23 53.98 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.805 1.242 . . . . 0.0 113.146 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -87.93 -22.79 24.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.332 1.453 . . . . 0.0 113.137 -174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.44 -10.04 4.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.68 -37.64 11.73 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.979 1.312 . . . . 0.0 113.794 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 p -99.64 -59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.772 1.229 . . . . 0.0 109.638 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -67.0 151.64 47.27 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.604 1.161 . . . . 0.0 110.93 168.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 pt -68.68 156.0 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.693 0.797 . . . . 0.0 113.009 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.69 150.19 47.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.988 1.315 . . . . 0.0 113.898 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -147.62 156.06 42.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.406 1.882 . . . . 0.0 111.304 -176.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.34 -32.47 62.54 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.786 0.834 . . . . 0.0 112.297 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -65.32 -29.65 70.42 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.366 1.067 . . . . 0.0 113.17 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.02 -44.89 14.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.72 -38.7 85.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.755 1.222 . . . . 0.0 112.816 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -64.98 -26.25 68.22 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.06 -32.23 68.87 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.235 -0.916 . . . . 0.0 112.213 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -72.4 -18.31 61.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.348 -0.845 . . . . 0.0 112.673 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.6 m . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 22.5 tp -149.69 143.38 25.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.491 1.516 . . . . 0.0 112.19 -166.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 33.2 m -131.29 161.85 31.37 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 54.15 -140.19 36.09 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 125.513 1.53 . . . . 0.0 115.573 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.0 m -57.85 -29.23 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.342 1.057 . . . . 0.0 113.397 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.52 -28.85 62.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.321 -0.862 . . . . 0.0 112.834 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.2 -36.08 71.78 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.629 0.772 . . . . 0.0 111.327 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.37 -43.23 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.04 0.536 . . . . 0.0 110.66 170.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.64 -39.24 79.97 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.02 -1.05 . . . . 0.0 111.677 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.06 89.31 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.72 -35.64 77.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.867 1.212 . . . . 0.0 111.452 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.53 -35.71 81.37 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.506 0.722 . . . . 0.0 112.4 170.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.94 -35.19 72.11 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.944 -1.097 . . . . 0.0 112.351 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.37 -37.19 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.731 0.812 . . . . 0.0 112.292 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -172.457 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.9 t -63.45 -45.2 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.963 0.505 . . . . 0.0 110.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.67 -38.88 92.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.926 0.891 . . . . 0.0 112.408 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -61.04 -32.49 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.209 1.004 . . . . 0.0 113.069 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -100.88 -25.6 14.04 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -94.93 -31.39 13.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.427 1.467 . . . . 0.0 114.652 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -111.6 -35.71 5.7 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.102 0.864 . . . . 0.0 112.061 171.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 m -95.11 169.63 9.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.545 1.138 . . . . 0.0 110.493 167.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -87.14 152.68 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.725 -0.61 . . . . 0.0 110.513 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -131.33 -169.89 2.27 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.74 1.216 . . . . 0.0 112.427 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -133.75 156.01 48.74 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.98 1.712 . . . . 0.0 111.197 -173.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.67 -35.26 74.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.834 -0.541 . . . . 0.0 110.76 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.49 -35.67 80.08 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.185 -0.947 . . . . 0.0 112.573 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -74.84 -40.92 60.75 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.394 -0.816 . . . . 0.0 111.101 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.9 -34.46 74.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.07 0.948 . . . . 0.0 111.915 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.04 -40.92 87.29 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.198 -0.939 . . . . 0.0 112.227 170.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -71.02 -19.63 62.49 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.34 -16.59 62.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.701 1.137 . . . . 0.0 113.084 170.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 124.338 1.055 . . . . 0.0 112.472 175.32 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 2.7 p80 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.5 mt -147.11 147.44 30.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.323 2.249 . . . . 0.0 110.739 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 83.5 m -129.91 153.05 48.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.011 1.324 . . . . 0.0 111.875 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.06 -130.32 28.13 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.818 1.199 . . . . 0.0 114.761 169.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -56.96 -30.05 63.74 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -75.85 -31.53 59.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.202 0.91 . . . . 0.0 112.848 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -45.26 78.43 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 109.552 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.07 -45.55 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.691 0.797 . . . . 0.0 111.384 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.95 -45.34 86.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.217 -0.927 . . . . 0.0 111.278 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.32 83.54 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -36.12 77.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.515 1.052 . . . . 0.0 111.137 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -68.36 -42.41 79.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.813 0.445 . . . . 0.0 112.156 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.2 -44.55 88.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.481 1.112 . . . . 0.0 112.259 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.66 -31.78 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.818 0.735 . . . . 0.0 111.059 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.556 1.189 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.109 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -72.74 -56.92 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.602 0.361 . . . . 0.0 111.661 -169.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -35.18 77.05 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.41 -0.806 . . . . 0.0 112.839 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.34 -26.91 66.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 113.056 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.9 t -106.24 -23.95 12.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.899 1.279 . . . . 0.0 113.777 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -101.82 -28.52 12.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -169.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -116.83 -36.91 3.74 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.999 0.818 . . . . 0.0 112.168 170.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -84.31 156.92 21.7 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.642 -0.661 . . . . 0.0 109.3 166.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.14 139.77 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-O 123.075 1.417 . . . . 0.0 113.077 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -105.55 152.19 23.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 127.117 2.167 . . . . 0.0 111.387 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.6 p -148.38 163.62 36.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.845 1.258 . . . . 0.0 111.566 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.84 -35.15 75.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 122.023 -0.423 . . . . 0.0 111.953 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -62.69 -36.96 84.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.655 -0.653 . . . . 0.0 112.306 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -76.37 -44.09 37.91 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.667 -0.646 . . . . 0.0 110.904 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.65 -34.0 73.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.998 0.919 . . . . 0.0 112.104 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.12 -42.35 72.75 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.07 -1.019 . . . . 0.0 112.014 171.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.92 -31.24 72.38 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.42 -0.8 . . . . 0.0 113.15 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.92 -28.11 69.3 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.324 0.965 . . . . 0.0 112.733 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 124.419 1.088 . . . . 0.0 112.609 173.569 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.38 152.64 45.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.141 1.776 . . . . 0.0 110.247 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.01 43.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.419 1.087 . . . . 0.0 111.745 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.09 -133.69 37.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.63 1.109 . . . . 0.0 114.861 169.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -61.39 -28.22 69.08 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -72.77 -36.61 67.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.196 0.907 . . . . 0.0 111.645 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.5 -48.34 79.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.534 1.134 . . . . 0.0 110.202 170.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.75 -45.0 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.44 0.696 . . . . 0.0 111.515 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.341 0.973 . . . . 0.0 111.866 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.13 -45.57 84.54 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.564 -0.71 . . . . 0.0 111.838 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -32.56 74.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.269 -0.895 . . . . 0.0 111.714 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -46.83 87.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.378 1.071 . . . . 0.0 111.7 173.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.12 -37.7 57.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.347 1.059 . . . . 0.0 112.318 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.98 -27.37 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.545 0.738 . . . . 0.0 111.525 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 174.715 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.289 -0.264 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.88 -46.15 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.188 0.595 . . . . 0.0 112.489 -169.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -60.01 -34.31 73.17 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.896 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -60.07 -30.72 69.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.346 1.058 . . . . 0.0 113.059 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -107.32 -17.87 14.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.85 -37.45 9.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -172.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.5 p -106.08 -36.9 6.79 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.238 1.015 . . . . 0.0 111.212 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 m -94.88 178.75 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.773 1.629 . . . . 0.0 109.576 166.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -107.58 159.05 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.105 -0.997 . . . . 0.0 113.475 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 m -137.56 154.57 49.78 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.375 1.47 . . . . 0.0 112.566 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -121.87 177.63 5.21 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.373 1.469 . . . . 0.0 111.042 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.78 -28.78 66.27 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.685 1.194 . . . . 0.0 111.89 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.01 -41.03 82.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.175 0.99 . . . . 0.0 112.543 172.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.7 -39.48 36.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.728 -0.608 . . . . 0.0 111.44 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.37 -19.87 66.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.619 0.768 . . . . 0.0 112.657 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -97.16 -2.42 43.01 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -87.4 -35.88 18.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.778 -1.201 . . . . 0.0 111.551 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -67.35 -23.84 65.65 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 170.63 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 69.0 mt -138.96 131.42 28.64 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.577 2.351 . . . . 0.0 109.559 171.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 73.9 m -129.16 143.96 51.04 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.698 1.199 . . . . 0.0 111.544 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.26 -127.23 25.17 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.706 1.146 . . . . 0.0 113.985 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 22.2 m -57.59 -28.03 63.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.668 1.187 . . . . 0.0 114.182 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -70.37 -36.36 74.09 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.004 0.82 . . . . 0.0 111.623 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.18 -43.42 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.346 1.059 . . . . 0.0 110.608 174.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.7 t -63.24 -43.9 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.586 -0.696 . . . . 0.0 111.631 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.92 -44.48 97.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.56 92.14 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -34.15 72.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.383 0.992 . . . . 0.0 111.391 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -37.15 78.77 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.99 -34.26 76.2 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.374 0.988 . . . . 0.0 112.407 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -79.05 -44.24 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.151 0.981 . . . . 0.0 112.271 177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 9.8 t . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.012 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.11 -41.11 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.207 1.403 . . . . 0.0 112.096 -174.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.47 -30.43 53.0 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.208 1.403 . . . . 0.0 113.689 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.41 -23.25 65.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.812 1.245 . . . . 0.0 113.138 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.19 -10.15 5.87 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 172.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 t -89.84 -33.77 16.36 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.5 1.045 . . . . 0.0 113.391 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.6 p -113.48 -34.31 5.62 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.475 1.11 . . . . 0.0 111.622 173.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -97.66 -171.95 2.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.593 1.557 . . . . 0.0 109.725 166.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.59 153.2 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.303 1.041 . . . . 0.0 112.2 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.26 172.08 8.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.8 1.64 . . . . 0.0 112.683 -171.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 t -146.07 171.93 14.16 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.424 1.49 . . . . 0.0 110.681 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.5 mt -51.65 -37.23 49.43 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.522 1.529 . . . . 0.0 111.996 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -68.28 -14.29 62.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.29 1.436 . . . . 0.0 114.001 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -110.66 -37.42 5.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.454 1.502 . . . . 0.0 112.227 173.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.3 -30.69 68.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.675 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.02 -30.31 68.66 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.291 -0.881 . . . . 0.0 112.925 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -81.58 -29.49 33.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.317 1.047 . . . . 0.0 113.049 -174.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -68.34 -9.86 50.88 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.2 m . . . . . 0 CA--C 1.545 0.756 0 C-N-CA 124.833 1.253 . . . . 0.0 112.787 169.555 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.9 mt -133.9 134.38 42.6 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.039 2.136 . . . . 0.0 108.965 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.6 t -137.19 154.27 50.24 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -173.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.74 -132.03 49.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.638 1.113 . . . . 0.0 113.074 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -55.59 -31.36 62.16 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.315 1.046 . . . . 0.0 113.657 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.44 -31.43 65.45 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.391 0.996 . . . . 0.0 112.867 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.29 -40.51 58.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.406 1.082 . . . . 0.0 110.84 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.39 -43.52 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.145 0.578 . . . . 0.0 110.531 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.95 -40.37 95.32 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.175 -0.953 . . . . 0.0 111.534 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.01 0.823 . . . . 0.0 112.895 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.46 -39.44 85.34 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.648 1.113 . . . . 0.0 111.345 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -62.44 -40.29 96.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.14 -37.29 83.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.064 -1.022 . . . . 0.0 112.525 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.17 -44.74 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.239 0.616 . . . . 0.0 112.389 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.793 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.348 9.3 tp . . . . . 0 N--CA 1.484 1.238 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.71 -39.48 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.32 -1.488 . . . . 0.0 111.943 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -69.16 -7.64 38.14 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -85.73 -26.42 25.88 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.278 -0.889 . . . . 0.0 112.799 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -134.06 -18.95 2.02 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -169.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -90.59 -43.43 10.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.847 1.203 . . . . 0.0 112.297 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -77.71 -27.68 50.72 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -142.88 154.71 44.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.716 2.006 . . . . 0.0 110.65 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.78 150.1 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.883 0.873 . . . . 0.0 113.072 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -145.42 170.45 16.33 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.063 0.945 . . . . 0.0 112.317 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 m -126.04 155.93 40.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.648 1.179 . . . . 0.0 112.533 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.74 -36.11 71.62 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.648 -0.658 . . . . 0.0 112.589 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.72 -32.35 67.32 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.656 1.182 . . . . 0.0 113.393 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -84.78 -34.75 22.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.252 1.021 . . . . 0.0 111.857 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.85 -26.76 67.06 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 112.339 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.12 -22.36 50.55 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.007 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.76 -23.79 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.891 -1.13 . . . . 0.0 113.322 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -108.22 1.98 22.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.115 1.366 . . . . 0.0 113.512 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 p . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 124.51 1.124 . . . . 0.0 113.327 -179.207 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.29 132.55 54.05 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.569 1.147 . . . . 0.0 109.592 172.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -142.2 149.24 39.42 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.979 0.911 . . . . 0.0 111.847 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.01 -131.35 36.98 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.156 0.884 . . . . 0.0 113.617 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.0 m -55.76 -30.05 60.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.84 1.256 . . . . 0.0 113.747 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -74.73 -28.45 60.79 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.33 0.968 . . . . 0.0 112.888 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.24 -45.72 65.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.929 1.292 . . . . 0.0 109.666 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -45.7 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.446 0.698 . . . . 0.0 110.752 173.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.1 -45.35 91.1 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.089 -1.007 . . . . 0.0 111.75 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.69 82.45 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.195 0.907 . . . . 0.0 113.37 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.59 -32.39 62.35 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.366 0.984 . . . . 0.0 112.085 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.54 -44.8 93.12 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.107 -0.996 . . . . 0.0 110.775 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.87 -37.46 79.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.741 1.616 . . . . 0.0 112.919 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.9 -29.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.676 1.125 . . . . 0.0 111.576 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 124.058 0.943 . . . . 0.0 113.366 168.088 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.7 mm . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.43 -43.9 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.074 0.55 . . . . 0.0 111.295 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.5 -41.3 63.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.278 1.431 . . . . 0.0 112.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -66.14 -29.66 70.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.97 -15.38 16.14 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -87.96 -32.69 18.75 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.225 -0.922 . . . . 0.0 112.955 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -93.4 -19.8 20.95 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -151.57 169.04 23.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.102 1.761 . . . . 0.0 110.395 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -64.89 153.02 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 121.311 -0.868 . . . . 0.0 112.803 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -137.31 170.89 15.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.163 0.985 . . . . 0.0 113.133 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.5 p -117.33 168.36 10.41 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.617 1.967 . . . . 0.0 113.077 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -54.62 -39.97 68.46 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.532 -0.73 . . . . 0.0 111.673 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.82 -23.01 65.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.774 0.83 . . . . 0.0 112.972 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -85.41 -36.67 20.53 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.62 0.768 . . . . 0.0 111.27 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.87 -33.7 74.67 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.645 -0.659 . . . . 0.0 111.157 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.85 -4.42 27.93 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.427 1.491 . . . . 0.0 114.825 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -110.59 -24.72 10.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.862 1.265 . . . . 0.0 113.509 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -71.99 -22.74 61.38 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 176.617 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 120.679 0.276 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.65 143.37 28.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.287 1.835 . . . . 0.0 110.029 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.62 156.82 46.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.395 0.678 . . . . 0.0 112.045 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.09 -134.79 47.95 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.061 0.839 . . . . 0.0 114.115 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.9 p -56.53 -31.93 64.62 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.66 -35.7 70.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.226 0.921 . . . . 0.0 111.86 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.9 -40.78 71.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.06 0.944 . . . . 0.0 112.047 173.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.8 -47.42 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.813 0.845 . . . . 0.0 110.426 173.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.45 -41.14 98.53 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.275 -0.891 . . . . 0.0 111.662 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.91 95.42 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.252 3.9 pp -73.65 -30.3 62.85 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.942 1.246 . . . . 0.0 112.451 174.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.05 -29.18 68.9 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.348 0.977 . . . . 0.0 113.291 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.51 -40.61 22.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.145 0.978 . . . . 0.0 112.802 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 97.0 t -88.72 -33.16 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.857 0.863 . . . . 0.0 112.639 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 125.001 1.32 . . . . 0.0 113.536 178.361 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.408 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.76 -35.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.628 1.971 . . . . 0.0 112.086 -170.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.4 -42.37 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.516 -0.74 . . . . 0.0 111.044 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -34.07 71.59 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -67.73 -13.27 61.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.266 1.027 . . . . 0.0 113.754 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.84 -18.66 9.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.402 1.081 . . . . 0.0 113.818 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.98 -51.71 5.67 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.045 -1.034 . . . . 0.0 112.888 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.8 p -88.89 -18.23 27.98 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 121.232 -0.918 . . . . 0.0 113.204 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.3 m -136.18 151.78 50.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.906 2.082 . . . . 0.0 109.847 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.5 pt -63.53 150.25 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -129.47 163.21 26.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -104.43 171.61 7.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.589 1.956 . . . . 0.0 113.834 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.08 -37.63 74.85 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.363 -0.836 . . . . 0.0 111.617 169.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.03 66.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -80.54 -41.01 24.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.646 0.779 . . . . 0.0 110.848 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.57 -31.49 72.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.871 0.868 . . . . 0.0 111.818 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.16 -46.29 77.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.066 -1.021 . . . . 0.0 111.453 168.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.67 -36.77 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.62 -0.675 . . . . 0.0 112.747 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -66.03 -17.09 64.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 t -81.79 -28.1 33.36 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.148 0.979 . . . . 0.0 112.586 171.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -89.23 -33.41 17.0 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.085 1.354 . . . . 0.0 113.402 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.32 0 C-N-CA 125.406 1.479 . . . . 0.0 114.41 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 93.6 t80 . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.748 0.308 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 12.4 p -144.74 147.72 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.873 1.669 . . . . 0.0 109.669 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -62.51 143.5 57.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.417 0.687 . . . . 0.0 111.217 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -140.23 159.32 42.46 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -169.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -82.07 133.02 35.26 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.818 0.847 . . . . 0.0 111.24 171.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -144.45 134.58 24.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.896 1.678 . . . . 0.0 110.289 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 82.9 m -127.37 150.08 49.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.534 1.134 . . . . 0.0 111.689 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.48 -126.63 28.61 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.701 1.143 . . . . 0.0 114.364 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.8 m -58.74 -28.68 66.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.44 1.096 . . . . 0.0 113.61 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -75.08 -35.18 61.82 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.258 0.935 . . . . 0.0 111.852 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.92 -41.71 86.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.177 0.991 . . . . 0.0 110.897 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.4 -50.97 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.044 0.537 . . . . 0.0 111.129 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.71 -43.28 90.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.307 0.958 . . . . 0.0 111.837 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.28 87.85 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -36.92 84.49 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.602 1.092 . . . . 0.0 111.182 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.42 -44.14 88.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.609 0.764 . . . . 0.0 111.279 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -41.03 78.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.852 0.861 . . . . 0.0 112.434 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.12 -32.28 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.453 0.701 . . . . 0.0 111.269 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t -82.21 5.43 19.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.776 1.23 . . . . 0.0 114.021 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.39 -126.63 42.79 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.792 1.187 . . . . 0.0 114.26 171.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.59 -8.23 56.26 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -85.34 -76.63 0.32 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.949 1.3 . . . . 0.0 111.699 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.12 -149.95 11.13 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 123.595 0.617 . . . . 0.0 113.794 -172.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -88.44 135.55 33.42 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.819 0.848 . . . . 0.0 111.711 170.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -76.16 -20.02 57.94 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 172.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -111.84 169.81 8.58 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.655 1.982 . . . . 0.0 111.663 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 17.6 p -61.69 138.53 95.25 Favored Pre-proline 0 N--CA 1.474 0.774 0 O-C-N 121.462 -0.774 . . . . 0.0 111.533 172.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -77.03 153.74 32.63 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.001 2.467 . . . . 0.0 113.169 -172.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -147.62 137.96 23.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.936 1.694 . . . . 0.0 110.503 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 17.2 p -64.42 136.08 56.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.212 1.405 . . . . 0.0 111.863 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 . . . . . 0 C--O 1.248 1.014 0 C-N-CA 125.281 1.432 . . . . 0.0 112.414 -173.863 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.4 tt -143.57 -60.42 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.941 1.696 . . . . 0.0 110.467 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.27 -43.24 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.189 -0.945 . . . . 0.0 109.455 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.41 18.97 0.27 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.14 1.376 . . . . 0.0 114.203 174.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -125.86 -53.26 1.54 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 111.169 169.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.22 -9.96 43.38 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -102.52 -32.49 9.91 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.496 1.043 . . . . 0.0 112.457 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 p -78.08 -26.67 48.29 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.123 1.369 . . . . 0.0 113.135 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -136.07 175.16 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.622 1.969 . . . . 0.0 110.304 172.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.26 142.52 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 122.436 1.113 . . . . 0.0 112.429 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -94.48 163.24 13.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 t -149.91 154.33 38.13 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.98 1.712 . . . . 0.0 110.19 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.11 -37.45 34.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.974 0.91 . . . . 0.0 112.32 169.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.47 -29.36 69.46 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.274 1.03 . . . . 0.0 113.079 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -82.25 -39.91 22.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.122 0.969 . . . . 0.0 110.798 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.94 -38.71 91.86 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.725 1.21 . . . . 0.0 112.457 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.77 -28.27 68.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 175.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -63.69 -33.09 74.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.414 -0.804 . . . . 0.0 112.142 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -71.12 -21.55 62.19 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.515 0.726 . . . . 0.0 112.737 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.2 m -87.92 -2.39 58.58 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.226 1.41 . . . . 0.0 113.084 168.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.9 t30 54.79 38.48 30.27 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.503 1.921 . . . . 0.0 113.328 -167.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 C-N-CA 125.328 1.442 . . . . 0.0 114.014 177.582 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.0 t80 . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 11.3 p -140.26 138.38 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.004 1.322 . . . . 0.0 110.792 172.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -70.05 108.0 3.88 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.296 1.038 . . . . 0.0 111.529 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -144.29 160.1 41.57 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.936 1.694 . . . . 0.0 111.171 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -75.47 132.88 41.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.273 0.629 . . . . 0.0 110.363 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.49 134.63 41.7 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.782 1.633 . . . . 0.0 110.526 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.76 154.55 47.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.71 1.204 . . . . 0.0 111.758 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.48 -125.46 10.8 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.267 1.413 . . . . 0.0 114.942 168.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 10.1 t -57.45 -37.17 72.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.435 1.094 . . . . 0.0 113.096 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.86 -33.82 72.77 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.33 -0.856 . . . . 0.0 112.248 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 42.8 tp -70.83 -39.14 73.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.15 0.98 . . . . 0.0 111.391 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.2 -46.21 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.239 0.616 . . . . 0.0 110.899 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.67 -42.95 99.62 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.376 -0.828 . . . . 0.0 111.672 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.32 93.75 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.517 -0.739 . . . . 0.0 112.979 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -28.95 61.57 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.661 0.664 . . . . 0.0 112.12 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -44.7 86.55 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.196 -0.94 . . . . 0.0 111.084 169.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.48 -36.73 81.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.252 1.021 . . . . 0.0 113.243 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.3 -34.47 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.451 1.023 . . . . 0.0 112.409 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 79.4 m -92.08 -26.89 18.09 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 53.51 -128.11 38.37 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.018 1.294 . . . . 0.0 114.338 170.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.6 -12.3 43.99 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -70.78 -20.1 62.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.449 1.099 . . . . 0.0 112.289 171.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.25 150.46 15.91 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.507 1.527 . . . . 0.0 112.373 -171.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.67 -18.6 29.2 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -172.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -69.18 154.64 41.72 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.419 -0.801 . . . . 0.0 112.349 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.03 105.33 2.0 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.773 0.829 . . . . 0.0 109.937 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 41.7 p -73.49 139.21 77.93 Favored Pre-proline 0 N--CA 1.474 0.751 0 O-C-N 121.446 -0.784 . . . . 0.0 112.63 -171.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -75.41 -25.53 11.15 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.029 2.486 . . . . 0.0 112.728 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.74 141.4 25.58 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.098 2.159 . . . . 0.0 109.945 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 2.9 t -96.21 169.53 9.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.427 1.091 . . . . 0.0 112.854 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 127.267 2.227 . . . . 0.0 113.433 -177.476 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.0 -40.3 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.882 1.273 . . . . 0.0 113.634 -172.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.56 -42.13 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.239 0.615 . . . . 0.0 110.468 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.57 20.18 0.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.005 -1.059 . . . . 0.0 113.615 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -122.27 -46.43 2.18 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.952 1.701 . . . . 0.0 111.168 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.13 -14.28 27.41 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.32 -16.88 26.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.006 0.922 . . . . 0.0 112.059 171.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -102.86 -39.89 6.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.752 2.021 . . . . 0.0 112.794 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -118.09 168.54 10.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.035 2.134 . . . . 0.0 109.747 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.58 153.57 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 120.716 -1.24 . . . . 0.0 111.176 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.3 m -136.24 155.25 50.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.274 1.03 . . . . 0.0 112.651 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -121.57 151.75 40.01 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.309 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.78 -36.61 67.55 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -65.87 -16.54 63.94 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -90.57 -24.88 20.45 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.248 1.819 . . . . 0.0 111.329 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.8 mt -81.68 -31.13 32.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.362 1.065 . . . . 0.0 112.969 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.38 -18.17 57.51 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -56.82 -33.56 66.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.663 1.185 . . . . 0.0 112.73 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -5.87 59.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.619 1.168 . . . . 0.0 113.989 -175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.1 m -71.85 -12.21 61.17 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.7 t30 53.84 48.85 20.41 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.086 1.754 . . . . 0.0 112.609 -174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 C-N-CA 125.433 1.492 . . . . 0.0 112.493 -171.678 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.315 0.102 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 20.9 m -71.37 145.49 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.886 0.874 . . . . 0.0 113.079 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -85.35 65.6 9.28 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.676 1.19 . . . . 0.0 109.993 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -136.48 161.89 34.59 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.103 1.361 . . . . 0.0 112.773 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -78.33 156.24 29.7 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.838 1.255 . . . . 0.0 112.666 174.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.1 mt -136.74 125.86 24.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.399 1.88 . . . . 0.0 109.439 171.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.83 143.17 51.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.041 1.336 . . . . 0.0 110.931 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.01 -125.69 20.3 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.354 0.978 . . . . 0.0 114.023 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.9 m -59.13 -29.37 67.36 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -71.32 -35.16 71.14 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.37 0.987 . . . . 0.0 111.661 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.09 -45.25 74.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.183 1.393 . . . . 0.0 110.666 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.42 -43.35 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 111.059 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.04 -41.52 96.74 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.989 -1.07 . . . . 0.0 111.911 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.84 84.77 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -28.75 65.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.152 0.887 . . . . 0.0 112.156 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.3 -49.12 68.14 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.242 -0.911 . . . . 0.0 111.274 168.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.01 -40.33 97.43 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.246 1.019 . . . . 0.0 112.976 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.81 -29.42 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.219 0.918 . . . . 0.0 112.512 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 91.3 m -93.53 10.49 32.29 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.425 1.09 . . . . 0.0 113.777 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.15 -117.45 4.92 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.635 1.588 . . . . 0.0 113.014 175.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -81.79 -24.73 35.78 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -134.94 142.89 46.62 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.996 1.718 . . . . 0.0 111.53 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -91.51 -90.28 1.4 Allowed Glycine 0 N--CA 1.464 0.563 0 C-N-CA 124.732 1.158 . . . . 0.0 110.506 170.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -56.5 171.34 0.31 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.18 1.392 . . . . 0.0 112.722 169.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -66.26 -8.16 23.04 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -69.18 175.5 3.82 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.642 1.577 . . . . 0.0 112.913 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 7.2 m -53.47 138.47 49.93 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 126.241 1.816 . . . . 0.0 113.288 -173.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.28 139.56 53.91 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.655 2.904 . . . . 0.0 112.973 170.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 48.35 20.11 0.26 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.324 1.85 . . . . 0.0 115.004 -171.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m 62.41 0.55 0.62 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 127.745 2.418 . . . . 0.0 115.473 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.111 1.764 . . . . 0.0 112.512 -174.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.2 mt -73.81 -38.45 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.836 1.254 . . . . 0.0 111.674 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.2 -42.98 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.146 0.578 . . . . 0.0 112.053 -173.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.95 -35.08 68.68 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.66 0.784 . . . . 0.0 112.891 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -63.01 -29.48 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.943 0.897 . . . . 0.0 113.179 -173.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -112.66 -19.83 11.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -92.52 -37.71 12.35 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.192 1.36 . . . . 0.0 113.858 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.1 p -107.92 -31.64 7.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.342 1.057 . . . . 0.0 111.992 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -98.36 161.31 13.75 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.561 1.544 . . . . 0.0 109.952 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -88.58 155.18 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -145.07 164.4 31.33 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -174.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -118.44 161.92 19.19 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.899 2.08 . . . . 0.0 113.114 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -54.69 -38.26 66.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.094 0.957 . . . . 0.0 112.857 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -70.82 -17.11 62.76 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -86.57 -37.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.027 0.931 . . . . 0.0 110.886 169.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.99 -34.63 78.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.412 0.685 . . . . 0.0 111.495 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.16 -29.19 67.26 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -68.89 -35.28 76.67 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.197 -0.939 . . . . 0.0 112.179 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.22 -18.83 63.18 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.643 1.177 . . . . 0.0 112.766 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p -115.74 20.04 14.85 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.109 2.164 . . . . 0.0 112.901 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.8 t30 54.9 29.71 12.6 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.67 1.988 . . . . 0.0 115.468 170.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 C-N-CA 126.374 1.94 . . . . 0.0 115.072 175.876 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.344 -0.36 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 45.7 t 64.53 139.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.931 2.093 . . . . 0.0 112.395 -167.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . 0.267 0.5 OUTLIER 49.65 19.91 0.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.542 2.337 . . . . 0.0 117.158 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -152.17 156.13 39.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.673 1.989 . . . . 0.0 110.355 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -103.07 157.51 16.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.304 1.442 . . . . 0.0 113.839 -171.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 73.4 mt -137.24 134.25 35.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.026 2.13 . . . . 0.0 108.722 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.06 152.8 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.275 0.63 . . . . 0.0 112.171 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.86 -130.75 36.05 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.11 0.862 . . . . 0.0 112.836 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 16.5 m -56.67 -28.36 60.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -73.56 -33.71 64.81 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.598 1.09 . . . . 0.0 112.117 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tt -68.2 -44.33 76.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 109.889 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.28 -44.84 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.446 0.698 . . . . 0.0 111.151 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.29 -46.21 86.5 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.166 -0.959 . . . . 0.0 111.554 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.04 90.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.95 -35.91 67.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.098 0.863 . . . . 0.0 111.591 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.82 -40.18 91.59 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.209 -0.932 . . . . 0.0 111.582 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 47.2 mt -67.87 -42.73 80.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.594 0.633 . . . . 0.0 112.486 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.84 -31.4 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.254 0.933 . . . . 0.0 112.132 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 27.8 m -88.27 -0.21 56.87 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.47 -101.52 0.29 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.003 1.287 . . . . 0.0 113.71 173.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -76.16 -18.87 58.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.735 1.214 . . . . 0.0 113.65 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -94.95 139.54 31.2 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.197 1.399 . . . . 0.0 112.532 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -110.06 -155.49 15.25 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 126.119 1.819 . . . . 0.0 112.734 173.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -57.76 134.85 56.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 117.86 0.83 . . . . 0.0 111.728 170.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -86.45 -30.17 22.26 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.449 0.7 . . . . 0.0 112.678 171.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 60.22 -28.62 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.77 2.828 . . . . 0.0 115.735 -171.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 37.7 p -76.36 164.78 57.67 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 126.412 1.885 . . . . 0.0 112.241 169.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -59.3 159.05 24.13 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.276 2.651 . . . . 0.0 114.778 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -56.47 135.34 54.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.259 1.823 . . . . 0.0 111.947 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 79.3 p -129.12 -12.66 4.59 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.861 1.264 . . . . 0.0 114.017 171.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 125.551 1.54 . . . . 0.0 111.053 170.461 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 112.149 -0.38 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.6 mt -89.1 -46.28 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.434 1.094 . . . . 0.0 112.274 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.29 -41.38 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -169.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.5 -28.89 65.81 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -67.86 -31.43 71.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.585 -0.697 . . . . 0.0 111.988 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.99 -24.22 10.49 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.84 -49.42 6.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.345 0.975 . . . . 0.0 113.092 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.8 p -94.5 -37.99 11.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.837 0.855 . . . . 0.0 111.727 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -95.16 -174.92 3.36 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.155 1.382 . . . . 0.0 110.068 167.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.15 153.4 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.474 1.11 . . . . 0.0 111.886 170.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.6 p -137.12 157.79 45.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.972 0.909 . . . . 0.0 113.222 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -103.73 161.86 13.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.26 1.824 . . . . 0.0 112.941 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.82 -37.73 69.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.083 0.953 . . . . 0.0 112.384 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -72.0 -17.8 62.02 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.99 -38.82 17.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.068 0.947 . . . . 0.0 111.012 171.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.36 -34.39 73.79 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.769 0.828 . . . . 0.0 111.507 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.37 -30.93 71.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.308 1.043 . . . . 0.0 113.232 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.48 -27.52 61.44 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.708 -1.245 . . . . 0.0 112.06 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.22 -15.79 61.94 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.241 -0.912 . . . . 0.0 112.747 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 m -76.06 -14.3 60.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.865 1.666 . . . . 0.0 113.639 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -81.08 43.2 0.69 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 126.232 1.813 . . . . 0.0 113.154 -170.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 126.45 1.976 . . . . 0.0 113.132 -176.608 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 38.3 p90 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.59 0.233 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.68 147.89 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.92 1.688 . . . . 0.0 109.372 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -86.29 153.79 21.72 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.673 1.189 . . . . 0.0 112.996 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -141.17 163.7 32.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.062 1.745 . . . . 0.0 110.757 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -75.49 137.02 40.63 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.07 0.462 . . . . 0.0 110.854 168.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 21.9 mt -140.58 125.77 18.61 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.504 1.922 . . . . 0.0 108.705 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.3 t -138.15 147.33 43.78 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.65 -123.93 24.9 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.998 0.808 . . . . 0.0 113.068 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 24.9 p -56.71 -29.33 62.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -75.25 -32.13 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.452 1.024 . . . . 0.0 111.812 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.33 -43.14 70.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.749 1.219 . . . . 0.0 110.135 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.3 -47.54 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.341 0.657 . . . . 0.0 110.979 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.14 -40.13 84.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.02 -1.05 . . . . 0.0 111.994 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.65 82.77 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.59 -29.84 65.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.956 1.253 . . . . 0.0 111.648 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.99 -36.41 79.98 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.091 -1.006 . . . . 0.0 112.119 168.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 53.0 mt -68.36 -32.9 73.31 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.727 -1.233 . . . . 0.0 112.101 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.96 -40.83 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.624 0.77 . . . . 0.0 112.401 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 70.1 m -108.2 18.56 20.97 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -170.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 61.26 -147.62 47.26 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.301 1.429 . . . . 0.0 114.772 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.74 -16.63 58.51 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -175.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -80.74 -53.39 6.55 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.918 1.287 . . . . 0.0 112.957 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 65.04 -103.84 0.85 Allowed Glycine 0 CA--C 1.531 1.073 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -168.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -66.59 179.35 1.06 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.111 0.964 . . . . 0.0 112.51 168.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . 0.32 51.4 p90 50.29 47.63 23.48 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.17 1.788 . . . . 0.0 115.158 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 68.81 157.72 0.15 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.661 2.785 . . . . 0.0 116.17 169.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -53.1 144.52 28.02 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 127.122 2.169 . . . . 0.0 113.22 -175.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -60.09 -23.18 72.52 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 123.313 2.675 . . . . 0.0 116.535 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.08 137.17 58.17 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.337 1.055 . . . . 0.0 112.011 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 7.9 t -139.25 173.73 11.25 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.971 1.708 . . . . 0.0 111.553 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.197 0 C-N-CA 125.817 1.647 . . . . 0.0 113.096 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 CA-C-O 121.181 0.323 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.9 mt -56.7 -47.05 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.76 1.624 . . . . 0.0 113.196 -170.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.61 -45.03 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.298 0.499 . . . . 0.0 110.431 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.68 -41.51 86.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.28 1.032 . . . . 0.0 111.85 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -61.53 -20.49 63.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.339 1.455 . . . . 0.0 113.805 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.09 -3.53 13.96 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -106.92 -46.69 3.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.61 1.095 . . . . 0.0 113.495 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -94.48 -33.53 13.05 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.935 0.788 . . . . 0.0 111.704 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 p -111.47 172.62 6.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.556 1.942 . . . . 0.0 110.345 168.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 pt -93.64 151.11 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.048 0.939 . . . . 0.0 113.037 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -142.22 169.86 16.8 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.239 1.016 . . . . 0.0 112.003 169.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 p -129.38 -179.3 5.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.027 1.731 . . . . 0.0 112.539 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.12 -33.51 52.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.296 1.038 . . . . 0.0 112.637 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -71.08 -17.65 62.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.458 1.103 . . . . 0.0 113.415 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -94.48 -35.95 12.08 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.034 0.933 . . . . 0.0 111.676 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.83 -31.75 72.88 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.372 -0.83 . . . . 0.0 112.013 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.44 -5.82 51.21 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 168.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -95.57 -45.34 7.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.131 -0.981 . . . . 0.0 111.819 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.27 -26.84 68.67 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.6 p -70.31 -16.77 63.04 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.2 t30 50.92 48.72 22.49 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.286 1.834 . . . . 0.0 114.112 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 C-N-CA 125.237 1.398 . . . . 0.0 112.989 179.165 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.9 p90 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 25.6 m -138.99 163.58 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 126.26 1.824 . . . . 0.0 111.203 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.01 49.59 20.36 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.424 1.49 . . . . 0.0 113.705 174.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -139.6 155.87 47.2 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.073 1.349 . . . . 0.0 111.335 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -123.45 147.65 46.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.461 1.505 . . . . 0.0 112.708 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 78.1 mt -142.99 144.06 32.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.716 2.006 . . . . 0.0 110.344 169.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.67 153.91 46.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.525 1.13 . . . . 0.0 112.769 -170.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.78 -132.02 36.05 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.971 1.272 . . . . 0.0 114.529 169.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.8 m -57.69 -29.28 64.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.209 1.004 . . . . 0.0 113.417 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.6 -28.41 60.89 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.298 -0.877 . . . . 0.0 112.868 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.92 -43.68 71.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.426 0.69 . . . . 0.0 109.99 170.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.07 -44.09 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.273 0.629 . . . . 0.0 111.455 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.14 -33.98 74.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 112.114 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.38 88.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.292 -0.88 . . . . 0.0 112.395 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.25 -48.32 80.79 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.629 1.104 . . . . 0.0 109.572 169.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -67.35 -8.96 36.63 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -107.53 -35.36 6.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.029 1.332 . . . . 0.0 113.433 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.37 -38.65 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.251 1.02 . . . . 0.0 112.052 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 25.9 t -100.21 -27.14 13.66 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.361 1.464 . . . . 0.0 112.24 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.48 -155.79 31.25 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.806 1.194 . . . . 0.0 112.855 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -67.8 3.02 1.61 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -64.87 -26.8 68.48 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.147 1.379 . . . . 0.0 112.216 168.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -64.35 155.99 45.99 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 118.905 0.775 . . . . 0.0 113.504 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 42.6 -89.83 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.48 2.312 . . . . 0.0 115.692 175.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.48 -14.07 62.01 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 79.2 t80 64.83 155.09 0.07 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.908 2.483 . . . . 0.0 116.564 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 7.2 t -149.38 144.71 18.2 Favored Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 126.815 2.046 . . . . 0.0 108.76 169.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.84 133.67 51.86 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.872 2.381 . . . . 0.0 112.863 174.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -66.14 -23.03 66.41 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 82.2 m -120.57 113.39 20.2 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.678 1.591 . . . . 0.0 108.06 168.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.371 1.469 . . . . 0.0 112.019 -173.297 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 CA-C-O 121.067 0.259 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mm -69.78 -51.97 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.844 1.258 . . . . 0.0 112.619 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -71.88 -38.94 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.008 0.523 . . . . 0.0 112.084 -170.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.47 -39.47 73.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.467 1.107 . . . . 0.0 112.75 -173.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.08 -33.16 73.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.654 1.182 . . . . 0.0 113.351 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.45 -8.27 15.62 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.37 -39.65 12.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.947 0.899 . . . . 0.0 111.84 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.2 p -85.01 -20.85 29.85 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -141.97 161.55 37.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.756 2.022 . . . . 0.0 110.897 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 pt -70.48 153.15 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.337 0.655 . . . . 0.0 112.296 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.7 m -135.22 158.52 44.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.763 1.225 . . . . 0.0 113.565 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -105.94 159.65 15.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.642 1.577 . . . . 0.0 111.575 170.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -54.04 -33.76 58.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 112.93 -173.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.716 0.806 . . . . 0.0 113.156 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -73.28 -34.29 65.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.823 0.849 . . . . 0.0 110.902 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.48 -39.18 71.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.855 0.862 . . . . 0.0 111.112 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -62.05 -35.79 79.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.783 0.833 . . . . 0.0 112.129 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.41 -29.21 67.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.127 0.971 . . . . 0.0 113.353 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.9 -5.8 54.55 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -76.1 44.83 0.33 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.059 1.743 . . . . 0.0 112.996 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -86.56 101.38 13.16 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.234 1.414 . . . . 0.0 110.414 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 C-N-CA 125.474 1.511 . . . . 0.0 113.324 178.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.381 0.134 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.5 m -66.82 159.69 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.336 1.055 . . . . 0.0 112.494 175.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -78.18 49.57 0.83 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.765 1.626 . . . . 0.0 115.234 -170.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -90.84 148.11 22.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.326 1.45 . . . . 0.0 112.88 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -107.67 138.94 43.0 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.343 1.457 . . . . 0.0 110.869 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.0 109.72 15.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.646 1.579 . . . . 0.0 109.518 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 81.4 m -122.18 140.22 52.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.249 1.419 . . . . 0.0 110.847 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.71 -120.62 12.42 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.123 0.868 . . . . 0.0 113.135 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 26.3 m -59.28 -25.52 64.18 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -74.74 -29.52 61.19 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.798 1.181 . . . . 0.0 112.053 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -47.86 70.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.751 1.221 . . . . 0.0 109.824 171.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.45 -49.69 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 111.032 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.98 -41.54 96.66 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.61 83.54 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.11 -32.33 70.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.017 1.28 . . . . 0.0 111.888 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.27 -34.05 72.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.037 0.835 . . . . 0.0 112.736 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -69.63 -37.45 76.82 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.072 -1.017 . . . . 0.0 112.61 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.28 -45.31 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.575 0.625 . . . . 0.0 111.973 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.49 -16.17 24.77 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -171.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.83 -158.48 46.68 Favored Glycine 0 CA--C 1.535 1.337 0 O-C-N 121.202 -0.936 . . . . 0.0 113.031 -169.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.1 0.81 8.64 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -172.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -58.57 -36.85 74.59 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.42 1.488 . . . . 0.0 113.164 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 59.46 -148.13 41.66 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.36 0.981 . . . . 0.0 114.605 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -148.03 155.1 41.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.443 1.097 . . . . 0.0 112.653 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -86.71 162.18 18.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.86 1.664 . . . . 0.0 111.082 170.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.98 138.53 30.15 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.169 0.988 . . . . 0.0 112.801 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 37.0 p 41.87 73.42 0.91 Allowed Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 126.68 1.992 . . . . 0.0 113.402 -173.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -46.84 125.23 9.52 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 124.574 3.516 . . . . 0.0 114.085 -172.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.75 154.56 18.87 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.882 1.273 . . . . 0.0 112.317 -171.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 30.4 p -81.07 163.53 23.12 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.355 1.462 . . . . 0.0 112.472 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.243 1.817 . . . . 0.0 111.719 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 112.328 -0.309 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.7 -46.25 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 125.038 1.335 . . . . 0.0 112.028 -173.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -43.76 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.871 0.869 . . . . 0.0 112.253 -171.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.52 -46.0 77.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.552 1.141 . . . . 0.0 111.867 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -66.87 -36.93 83.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.54 -15.6 21.55 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 t -86.79 -38.82 16.5 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.308 -0.87 . . . . 0.0 111.544 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.4 p -86.7 -19.18 29.58 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -143.86 160.71 40.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.517 1.927 . . . . 0.0 111.359 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.21 147.28 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.139 -0.975 . . . . 0.0 112.711 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -119.56 153.36 35.52 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.696 1.198 . . . . 0.0 113.936 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 m -100.5 163.21 12.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.27 1.828 . . . . 0.0 111.991 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.34 -40.85 65.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.702 0.801 . . . . 0.0 111.774 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.91 -20.54 65.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.476 1.11 . . . . 0.0 113.802 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -85.87 -46.92 10.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.97 0.908 . . . . 0.0 110.795 172.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.34 -31.84 73.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.191 0.996 . . . . 0.0 112.813 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.18 -16.05 61.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.299 1.04 . . . . 0.0 113.387 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -87.26 -29.64 21.5 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.986 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -73.88 -21.56 60.04 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 p -69.63 150.39 47.09 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -172.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -79.98 56.39 2.36 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.53 1.932 . . . . 0.0 112.571 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.211 0 CA-C-O 118.173 -1.348 . . . . 0.0 113.481 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.571 0.224 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 13.4 p -140.41 142.38 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.696 1.598 . . . . 0.0 109.687 170.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -64.45 129.94 41.8 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.308 0.575 . . . . 0.0 110.696 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -151.59 163.5 38.92 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.704 1.202 . . . . 0.0 112.103 -169.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -76.4 137.95 40.08 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.361 0.664 . . . . 0.0 110.386 170.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 74.2 mt -140.92 126.58 19.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.312 1.845 . . . . 0.0 109.342 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.19 145.44 43.69 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.553 0.741 . . . . 0.0 111.236 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.57 -127.25 33.62 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.216 0.912 . . . . 0.0 113.219 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.1 p -56.06 -31.43 63.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 114.192 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -71.09 -33.82 70.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.425 1.012 . . . . 0.0 111.883 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.72 -43.37 69.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.506 1.122 . . . . 0.0 110.609 174.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.01 -45.61 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.443 0.697 . . . . 0.0 111.195 174.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.4 -42.07 99.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.476 -0.765 . . . . 0.0 111.616 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.51 93.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.93 -29.94 68.3 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.666 -1.272 . . . . 0.0 112.282 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.43 -19.68 62.96 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.09 -40.13 14.03 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.128 0.971 . . . . 0.0 112.15 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.03 -41.67 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.926 0.89 . . . . 0.0 112.104 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 34.2 t -99.9 -2.35 35.01 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.886 1.274 . . . . 0.0 113.339 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.41 -143.91 41.57 Favored Glycine 0 CA--C 1.533 1.176 0 O-C-N 120.877 -1.139 . . . . 0.0 113.423 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -73.46 35.3 0.08 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.709 2.404 . . . . 0.0 115.476 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 47.0 mtt85 -129.58 -1.36 4.9 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 127.486 2.314 . . . . 0.0 114.032 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.0 -61.53 5.67 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.87 1.224 . . . . 0.0 114.926 -168.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -131.29 -40.2 1.14 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.457 1.103 . . . . 0.0 112.18 173.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -130.69 159.07 38.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.655 1.982 . . . . 0.0 111.383 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -74.0 141.3 45.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.23 0.612 . . . . 0.0 112.6 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 56.4 m -119.0 130.47 24.82 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 125.132 1.373 . . . . 0.0 109.611 172.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.9 136.16 65.44 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.23 2.62 . . . . 0.0 114.638 -177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -66.16 144.52 56.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.886 1.274 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 37.4 p -88.47 -11.87 44.64 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.95 1.3 . . . . 0.0 114.349 -171.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.665 1.986 . . . . 0.0 110.748 178.622 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 CA-C-O 121.117 0.287 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -40.59 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.912 1.285 . . . . 0.0 113.484 -170.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.28 -50.08 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 122.861 0.464 . . . . 0.0 110.469 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -57.98 -39.62 78.64 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.943 0.897 . . . . 0.0 112.05 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.78 -25.29 64.79 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.66 -18.0 12.88 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 171.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -97.13 -36.79 10.36 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.2 p -109.25 -32.15 7.3 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.618 1.167 . . . . 0.0 111.64 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -93.54 155.33 17.38 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.459 1.504 . . . . 0.0 109.318 166.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -73.55 144.72 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 120.978 -1.076 . . . . 0.0 112.87 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -110.15 148.95 30.8 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.573 1.949 . . . . 0.0 112.653 -169.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -154.0 157.18 38.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.683 1.593 . . . . 0.0 111.447 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.48 -45.77 13.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.3 1.04 . . . . 0.0 112.467 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.52 -3.75 19.54 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -97.7 -48.39 5.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.357 1.463 . . . . 0.0 110.391 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.52 -29.25 69.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.18 -15.41 14.63 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.021 1.328 . . . . 0.0 114.266 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -89.39 -50.4 6.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 110.92 174.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -70.69 -5.53 30.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.033 1.333 . . . . 0.0 114.577 -169.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.8 p -90.07 -16.86 28.85 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -141.27 -39.36 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.287 0 C-N-CA 124.726 1.155 . . . . 0.0 112.907 -168.512 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.939 0.399 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.92 155.63 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.669 1.588 . . . . 0.0 110.569 170.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . 0.352 7.0 p30 53.57 179.84 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.424 2.29 . . . . 0.0 116.393 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 61.94 -174.6 0.14 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.643 1.577 . . . . 0.0 111.947 -166.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -119.75 153.12 36.15 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -169.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 99.5 mt -137.45 135.77 37.17 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.427 2.291 . . . . 0.0 109.351 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 1.7 t -137.56 153.83 49.9 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.583 0.753 . . . . 0.0 112.398 -172.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.95 -130.78 36.47 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 123.968 0.794 . . . . 0.0 113.876 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 30.9 p -58.54 -27.97 65.04 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -73.12 -32.89 65.21 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.793 1.179 . . . . 0.0 112.104 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.53 -46.86 74.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.607 1.163 . . . . 0.0 110.206 171.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.71 -42.47 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.377 0.671 . . . . 0.0 111.852 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -39.7 93.99 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.006 -1.059 . . . . 0.0 111.776 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.21 87.27 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.11 -30.29 70.27 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.455 1.48 . . . . 0.0 112.21 176.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.0 -42.17 81.15 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.737 -0.602 . . . . 0.0 112.045 170.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 73.4 mt -71.35 -35.45 71.17 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.07 -1.019 . . . . 0.0 113.016 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.72 -33.85 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.715 1.206 . . . . 0.0 111.874 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 58.3 m -112.31 -14.56 13.3 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -174.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.22 -123.59 26.11 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.256 0.934 . . . . 0.0 112.809 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -4.49 12.22 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -170.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -61.87 -34.8 76.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.074 0.949 . . . . 0.0 112.716 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.03 -118.87 6.14 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.035 0.826 . . . . 0.0 113.123 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -123.11 144.62 49.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.622 1.569 . . . . 0.0 112.23 -173.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -14.46 58.87 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 59.6 171.78 0.08 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.509 1.923 . . . . 0.0 114.4 -171.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.8 m -54.79 122.65 41.65 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 124.97 1.308 . . . . 0.0 112.38 -169.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -73.58 159.69 45.55 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.355 2.703 . . . . 0.0 112.877 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 167.63 21.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.872 1.269 . . . . 0.0 112.918 176.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 6.8 t -68.99 156.36 38.74 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.591 1.956 . . . . 0.0 112.05 -179.054 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.26 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -157.54 -50.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 124.87 1.268 . . . . 0.0 112.246 -178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.69 -38.85 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.278 -0.889 . . . . 0.0 110.88 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -74.61 1.16 12.8 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.574 1.15 . . . . 0.0 114.075 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.82 -40.78 8.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.604 1.162 . . . . 0.0 112.054 170.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -114.42 -16.98 11.87 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.48 -50.97 6.84 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.865 1.211 . . . . 0.0 110.816 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 p -85.25 -13.11 50.84 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.426 1.49 . . . . 0.0 114.033 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.8 169.63 17.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.953 1.701 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.5 138.33 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 0.0 110.898 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.93 163.24 26.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.2 1.4 . . . . 0.0 113.068 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -132.75 153.98 50.67 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.72 2.008 . . . . 0.0 110.436 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.7 -32.93 45.23 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.043 0.937 . . . . 0.0 113.342 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.62 -25.01 65.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.33 1.452 . . . . 0.0 113.876 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -87.55 -33.09 19.05 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.805 1.642 . . . . 0.0 111.788 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.56 -25.62 65.0 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.92 -22.53 5.68 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.927 1.291 . . . . 0.0 114.202 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -60.99 -42.12 97.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.494 1.118 . . . . 0.0 112.379 175.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -83.36 -10.89 58.18 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.8 m -73.66 10.85 0.96 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.008 1.723 . . . . 0.0 115.0 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -106.47 9.45 31.63 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.837 1.655 . . . . 0.0 113.743 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.821 1.676 . . . . 0.0 112.745 175.461 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 119.546 -0.264 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 75.5 t 65.19 135.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 127.484 2.314 . . . . 0.0 113.845 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.57 55.93 8.37 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.815 2.046 . . . . 0.0 113.428 -176.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -140.0 165.52 27.1 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.526 1.531 . . . . 0.0 112.724 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -86.48 139.91 30.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.759 0.824 . . . . 0.0 110.633 168.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 64.0 mt -140.19 120.42 13.86 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.244 1.818 . . . . 0.0 109.422 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.0 146.24 48.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.88 0.872 . . . . 0.0 111.574 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.46 -126.02 27.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.126 0.87 . . . . 0.0 113.178 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -57.81 -29.26 64.76 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -71.49 -34.07 69.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.645 1.111 . . . . 0.0 111.673 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.51 -46.37 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.312 1.045 . . . . 0.0 110.198 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.83 -46.66 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.995 0.918 . . . . 0.0 111.073 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.44 -36.65 78.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.619 0.768 . . . . 0.0 111.947 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.71 85.17 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.22 0.918 . . . . 0.0 113.085 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.25 -48.58 79.29 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 109.643 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -67.91 -21.42 65.13 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.08 -43.06 22.46 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.124 -0.985 . . . . 0.0 112.251 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.1 p -84.46 -31.97 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 61.7 m -103.06 3.58 36.21 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.326 1.451 . . . . 0.0 113.839 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 58.78 -139.3 48.63 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.866 0.746 . . . . 0.0 112.004 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.91 -9.67 7.52 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -96.19 24.22 5.88 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.269 1.428 . . . . 0.0 114.162 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.82 -32.84 34.25 Favored Glycine 0 CA--C 1.543 1.818 0 C-N-CA 124.259 0.933 . . . . 0.0 113.483 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -129.94 150.19 51.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.959 2.103 . . . . 0.0 108.437 166.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -132.85 156.52 47.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.498 1.119 . . . . 0.0 112.985 -169.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -86.36 -13.26 46.94 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -168.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 22.1 p -69.85 147.64 96.17 Favored Pre-proline 0 N--CA 1.479 0.978 0 CA-C-N 119.497 1.044 . . . . 0.0 113.054 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.62 153.98 72.39 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.319 2.679 . . . . 0.0 112.85 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -147.5 161.28 41.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.956 1.702 . . . . 0.0 112.204 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 45.9 p -117.33 -6.87 11.25 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -169.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 . . . . . 0 N--CA 1.483 1.211 0 C-N-CA 125.874 1.67 . . . . 0.0 112.453 -175.181 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.325 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp -156.7 -41.25 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.764 1.226 . . . . 0.0 110.943 175.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.84 -44.79 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.266 1.426 . . . . 0.0 111.89 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -58.2 -30.7 66.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.626 1.171 . . . . 0.0 113.517 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -73.15 -8.17 54.58 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.765 1.626 . . . . 0.0 114.561 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 m -125.57 -17.08 5.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.073 1.749 . . . . 0.0 113.609 168.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.43 -33.75 17.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.392 1.077 . . . . 0.0 112.806 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.1 p -74.62 -32.44 62.31 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 120.764 -1.21 . . . . 0.0 113.091 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.8 p -157.79 165.41 35.39 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.284 1.834 . . . . 0.0 111.017 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 pt -58.28 143.17 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.633 0.773 . . . . 0.0 111.976 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.3 p -128.98 178.05 6.67 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -168.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -85.05 151.36 24.21 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.513 0.725 . . . . 0.0 112.687 -173.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.88 -33.28 73.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.431 169.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -65.2 -27.9 69.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.259 1.024 . . . . 0.0 113.225 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.77 -45.19 62.43 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.499 -0.751 . . . . 0.0 110.101 173.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.44 -31.57 72.4 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.335 -0.853 . . . . 0.0 112.61 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.69 -11.59 60.69 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.079 0.952 . . . . 0.0 113.406 169.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -97.18 -30.22 13.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.421 1.488 . . . . 0.0 112.435 174.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -77.14 -23.98 51.66 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.873 0.76 . . . . 0.0 112.64 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.1 p -74.8 171.34 14.15 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.999 0.919 . . . . 0.0 112.883 171.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.93 38.74 27.8 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.438 1.895 . . . . 0.0 111.605 -169.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 117.733 -1.593 . . . . 0.0 113.007 179.549 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.749 0.309 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 12.7 m -68.54 162.42 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.137 0.975 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -128.55 153.3 47.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.809 1.243 . . . . 0.0 111.217 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . 0.28 6.5 pt20 50.64 -177.94 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 127.825 2.45 . . . . 0.0 114.884 -170.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.25 124.9 28.61 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.656 -1.277 . . . . 0.0 112.184 -171.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.0 89.01 4.4 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.727 1.211 . . . . 0.0 109.002 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.3 m -116.91 142.66 46.65 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.121 1.768 . . . . 0.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.88 -123.77 18.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.975 0.798 . . . . 0.0 113.726 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.3 m -56.31 -30.97 63.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -71.68 -32.45 67.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.44 1.018 . . . . 0.0 112.434 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.21 -41.11 70.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.206 0.603 . . . . 0.0 111.867 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.78 -47.64 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.499 0.72 . . . . 0.0 110.11 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.21 -44.52 92.26 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.344 0.658 . . . . 0.0 111.73 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.74 99.91 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.25 3.8 pp -72.25 -30.98 65.38 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.077 1.308 . . . . 0.0 112.026 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -70.63 -15.22 62.72 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 74.1 mt -94.91 -39.92 9.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.636 1.174 . . . . 0.0 112.778 172.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.4 t -84.13 -35.51 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.984 0.914 . . . . 0.0 112.251 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.5 t -106.83 -4.99 18.68 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.894 1.278 . . . . 0.0 113.149 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.27 -145.97 38.51 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.989 -1.07 . . . . 0.0 114.313 174.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.03 -23.89 49.68 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.957 2.103 . . . . 0.0 115.24 -172.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -62.18 -31.8 72.36 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -169.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 51.25 -139.2 26.06 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.144 0.878 . . . . 0.0 114.536 170.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -151.8 158.88 43.89 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.474 1.51 . . . . 0.0 110.596 169.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -88.16 157.25 18.88 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.671 0.788 . . . . 0.0 112.289 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.48 -23.18 67.19 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.764 1.226 . . . . 0.0 114.143 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 37.0 m -127.46 90.21 49.21 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 125.392 1.477 . . . . 0.0 108.282 170.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -54.36 142.12 70.02 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.556 2.837 . . . . 0.0 114.491 -170.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -111.42 -17.13 13.18 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.818 2.047 . . . . 0.0 113.009 -177.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 5.9 t -64.48 158.38 24.11 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.646 1.179 . . . . 0.0 112.753 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.266 1.827 . . . . 0.0 111.484 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.4 mm -63.25 -44.87 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.643 1.177 . . . . 0.0 111.388 -174.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.4 -46.34 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.569 0.748 . . . . 0.0 112.064 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -67.83 -29.76 68.99 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.041 -1.037 . . . . 0.0 113.288 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -68.7 -27.79 66.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.216 1.007 . . . . 0.0 113.656 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 t -118.41 -18.76 9.1 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -97.44 -51.8 4.02 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.769 1.168 . . . . 0.0 112.803 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 p -90.71 -5.87 55.19 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.276 1.03 . . . . 0.0 113.723 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -139.36 162.47 34.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.083 2.153 . . . . 0.0 110.21 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.84 154.58 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.33 165.59 26.79 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 113.111 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -138.08 169.1 18.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.556 1.942 . . . . 0.0 110.444 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.1 mt -55.25 -36.26 65.87 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 111.535 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -64.89 -31.59 72.9 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -83.99 -35.23 24.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.671 1.188 . . . . 0.0 110.989 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.56 -35.83 81.78 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.623 0.769 . . . . 0.0 111.289 170.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -68.36 -26.39 65.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.938 0.895 . . . . 0.0 113.008 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.44 -24.16 64.7 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.076 -1.015 . . . . 0.0 112.803 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -78.12 -19.88 53.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.195 0.998 . . . . 0.0 113.527 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.75 158.47 21.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 112.849 174.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -71.91 127.71 33.43 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.64 -0.663 . . . . 0.0 111.785 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 CA-C-O 118.314 -1.27 . . . . 0.0 112.838 178.955 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.488 1.445 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.29 5.66 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 54.82 46.49 24.4 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.438 1.895 . . . . 0.0 113.739 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -101.87 166.93 10.39 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.198 1.799 . . . . 0.0 112.444 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -123.65 145.81 48.67 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.684 1.593 . . . . 0.0 111.07 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -132.1 143.78 50.26 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.929 2.092 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.04 156.94 47.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.508 0.723 . . . . 0.0 112.077 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.2 -131.45 37.78 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.656 1.122 . . . . 0.0 114.077 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -55.99 -32.26 63.78 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.576 1.15 . . . . 0.0 113.753 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.69 -33.28 64.36 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.267 0.94 . . . . 0.0 112.843 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -46.87 73.45 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.182 0.993 . . . . 0.0 109.577 171.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -47.52 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.216 1.007 . . . . 0.0 111.514 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.6 -46.05 87.57 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.41 -0.806 . . . . 0.0 111.989 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -41.94 77.5 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.415 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -56.92 -43.31 81.3 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.409 1.004 . . . . 0.0 112.635 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.03 -34.21 77.5 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.941 0.897 . . . . 0.0 112.693 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 63.6 t -74.12 -36.29 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.658 0.783 . . . . 0.0 112.789 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.9 m -66.27 -33.38 75.61 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.96 -109.48 2.27 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 118.445 0.566 . . . . 0.0 112.169 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.56 -11.14 59.89 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -81.48 149.57 28.68 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.191 0.996 . . . . 0.0 112.023 173.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -80.47 -174.91 48.51 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-O 122.301 0.945 . . . . 0.0 114.215 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -91.32 145.71 24.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.179 1.392 . . . . 0.0 112.795 -174.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 61.3 t80 61.29 133.04 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.263 2.625 . . . . 0.0 115.759 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -78.58 102.24 7.84 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.605 -1.31 . . . . 0.0 110.386 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 13.9 p -75.85 156.77 84.34 Favored Pre-proline 0 N--CA 1.474 0.74 0 C-N-CA 123.91 0.884 . . . . 0.0 112.966 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.62 152.37 56.28 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.524 2.816 . . . . 0.0 114.287 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -132.31 159.6 38.67 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.714 1.605 . . . . 0.0 112.09 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 34.7 p -74.02 159.74 32.27 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.049 1.34 . . . . 0.0 112.898 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.267 1.827 . . . . 0.0 111.363 -179.402 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt -78.89 -33.65 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.63 -42.08 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 110.471 -176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -78.16 12.46 1.85 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -122.64 -30.23 3.92 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.076 1.75 . . . . 0.0 112.384 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -113.95 -19.98 11.22 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.7 t -97.57 -44.38 6.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.974 1.261 . . . . 0.0 112.077 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.1 p -74.09 -23.72 59.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.483 1.113 . . . . 0.0 113.44 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -148.05 167.57 24.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.458 1.903 . . . . 0.0 110.497 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 pt -61.21 146.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.797 . . . . 0.0 112.941 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -142.97 174.53 10.59 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.949 . . . . 0.0 111.562 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -125.67 157.72 36.57 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.261 1.424 . . . . 0.0 113.034 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -54.24 -36.39 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.105 1.362 . . . . 0.0 111.718 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.18 -18.62 64.65 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -87.89 -31.9 19.24 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.649 1.18 . . . . 0.0 111.702 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.6 -25.63 68.32 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.043 0.838 . . . . 0.0 113.111 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.78 -24.67 62.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 170.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.98 -26.28 65.84 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.054 -1.029 . . . . 0.0 112.802 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -105.77 -8.78 17.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p -93.58 -16.66 24.16 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 -171.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -123.81 -39.72 2.38 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.452 1.101 . . . . 0.0 112.456 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.345 0 C-N-CA 124.006 0.812 . . . . 0.0 113.074 -168.402 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 120.651 0.262 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 14.7 p -142.57 144.5 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.825 1.65 . . . . 0.0 109.976 169.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.42 129.58 22.14 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.654 1.181 . . . . 0.0 112.845 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -148.23 164.54 33.68 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -169.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -82.48 138.88 34.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.146 0.978 . . . . 0.0 110.92 169.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 58.9 mt -141.89 138.02 31.78 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.059 2.144 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.73 156.35 45.61 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.558 0.743 . . . . 0.0 112.409 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.03 -134.17 36.47 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.093 0.854 . . . . 0.0 114.006 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.7 m -59.91 -28.16 67.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -70.88 -36.28 72.7 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.455 1.025 . . . . 0.0 111.757 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 46.0 tp -70.46 -39.7 74.11 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.209 1.004 . . . . 0.0 111.883 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.5 -48.32 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.79 0.436 . . . . 0.0 110.602 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.26 -42.57 81.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.618 -0.676 . . . . 0.0 111.337 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.8 84.88 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.75 -31.15 67.87 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.195 1.361 . . . . 0.0 112.016 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.32 -46.54 69.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.01 0.524 . . . . 0.0 111.688 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.04 -40.73 95.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.594 1.158 . . . . 0.0 111.856 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.73 -35.82 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.202 1.001 . . . . 0.0 111.548 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 78.0 m -104.64 15.68 27.52 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 62.92 -102.95 0.56 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.019 1.295 . . . . 0.0 113.724 172.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.63 -12.31 56.15 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -102.21 150.11 23.62 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.731 1.213 . . . . 0.0 112.675 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -169.17 143.8 8.25 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.317 1.913 . . . . 0.0 110.992 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . 0.266 28.9 m-85 45.06 -102.21 0.06 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.506 1.522 . . . . 0.0 113.831 -169.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -140.14 131.95 27.51 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.2 1.0 . . . . 0.0 111.915 -175.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -91.56 -17.54 25.48 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.682 1.193 . . . . 0.0 112.909 169.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 59.6 m -140.46 131.98 14.15 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 126.808 2.043 . . . . 0.0 108.293 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.91 148.93 82.96 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 122.757 2.305 . . . . 0.0 112.975 -175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -96.94 17.7 16.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.474 1.51 . . . . 0.0 113.592 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 24.5 p -71.89 159.48 34.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.686 1.595 . . . . 0.0 113.142 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.413 1.885 . . . . 0.0 111.785 -177.786 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 tt -155.08 -47.56 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.069 1.348 . . . . 0.0 112.105 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.4 -44.51 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.704 0.802 . . . . 0.0 110.988 -173.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -58.46 -22.23 53.98 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.805 1.242 . . . . 0.0 113.146 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -87.93 -22.79 24.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.332 1.453 . . . . 0.0 113.137 -174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.44 -10.04 4.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.68 -37.64 11.73 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.979 1.312 . . . . 0.0 113.794 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 p -99.64 -59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.772 1.229 . . . . 0.0 109.638 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -67.0 151.64 47.27 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.604 1.161 . . . . 0.0 110.93 168.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 pt -68.68 156.0 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.693 0.797 . . . . 0.0 113.009 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.69 150.19 47.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.988 1.315 . . . . 0.0 113.898 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -147.62 156.06 42.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.406 1.882 . . . . 0.0 111.304 -176.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.34 -32.47 62.54 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.786 0.834 . . . . 0.0 112.297 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -65.32 -29.65 70.42 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.366 1.067 . . . . 0.0 113.17 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.02 -44.89 14.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.72 -38.7 85.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.755 1.222 . . . . 0.0 112.816 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -64.98 -26.25 68.22 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.06 -32.23 68.87 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.235 -0.916 . . . . 0.0 112.213 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -72.4 -18.31 61.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.348 -0.845 . . . . 0.0 112.673 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.6 m -68.38 -8.11 37.41 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -86.1 -3.41 58.95 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.284 0 C-N-CA 125.455 1.502 . . . . 0.0 114.158 179.263 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 1.6 t 53.74 -141.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 124.343 1.057 . . . . 0.0 110.718 -170.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -78.7 65.82 4.05 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.182 1.393 . . . . 0.0 112.462 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -137.4 147.08 45.16 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.723 2.009 . . . . 0.0 110.432 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.04 154.1 50.45 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.198 1.399 . . . . 0.0 113.239 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 22.5 tp -149.69 143.38 25.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.491 1.516 . . . . 0.0 112.19 -166.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 33.2 m -131.29 161.85 31.37 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 54.15 -140.19 36.09 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 125.513 1.53 . . . . 0.0 115.573 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.0 m -57.85 -29.23 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.342 1.057 . . . . 0.0 113.397 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.52 -28.85 62.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.321 -0.862 . . . . 0.0 112.834 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.2 -36.08 71.78 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.629 0.772 . . . . 0.0 111.327 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.37 -43.23 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.04 0.536 . . . . 0.0 110.66 170.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.64 -39.24 79.97 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.02 -1.05 . . . . 0.0 111.677 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.06 89.31 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.72 -35.64 77.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.867 1.212 . . . . 0.0 111.452 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.53 -35.71 81.37 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.506 0.722 . . . . 0.0 112.4 170.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.94 -35.19 72.11 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.944 -1.097 . . . . 0.0 112.351 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.37 -37.19 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.731 0.812 . . . . 0.0 112.292 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.7 m -107.34 -2.46 20.62 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -172.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 63.97 -138.26 41.73 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.595 1.093 . . . . 0.0 113.551 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.1 -14.7 51.64 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.947 1.299 . . . . 0.0 114.242 -175.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -64.93 -39.5 93.6 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.651 1.181 . . . . 0.0 113.086 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 56.83 -124.39 35.31 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -168.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -121.08 129.95 53.54 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.033 0.916 . . . . 0.0 111.8 166.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -168.64 145.21 3.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.318 2.247 . . . . 0.0 108.73 -173.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -75.51 132.71 40.93 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.863 1.211 . . . . 0.0 112.547 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 96.8 m -59.41 125.72 80.1 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 124.178 0.991 . . . . 0.0 111.82 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -64.99 149.21 89.72 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.984 2.456 . . . . 0.0 113.811 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 23.3 pttp 44.38 44.8 7.11 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.883 2.073 . . . . 0.0 115.71 170.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.2 p -61.73 152.01 32.33 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.977 1.311 . . . . 0.0 113.0 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.409 1.884 . . . . 0.0 111.452 -179.446 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.02 -47.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.496 1.518 . . . . 0.0 112.443 -171.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.9 t -63.45 -45.2 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.963 0.505 . . . . 0.0 110.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.67 -38.88 92.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.926 0.891 . . . . 0.0 112.408 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -61.04 -32.49 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.209 1.004 . . . . 0.0 113.069 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -100.88 -25.6 14.04 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -94.93 -31.39 13.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.427 1.467 . . . . 0.0 114.652 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -111.6 -35.71 5.7 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.102 0.864 . . . . 0.0 112.061 171.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 m -95.11 169.63 9.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.545 1.138 . . . . 0.0 110.493 167.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -87.14 152.68 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.725 -0.61 . . . . 0.0 110.513 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -131.33 -169.89 2.27 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.74 1.216 . . . . 0.0 112.427 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -133.75 156.01 48.74 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.98 1.712 . . . . 0.0 111.197 -173.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.67 -35.26 74.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.834 -0.541 . . . . 0.0 110.76 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.49 -35.67 80.08 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.185 -0.947 . . . . 0.0 112.573 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -74.84 -40.92 60.75 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.394 -0.816 . . . . 0.0 111.101 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.9 -34.46 74.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.07 0.948 . . . . 0.0 111.915 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.04 -40.92 87.29 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.198 -0.939 . . . . 0.0 112.227 170.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -71.02 -19.63 62.49 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.34 -16.59 62.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.701 1.137 . . . . 0.0 113.084 170.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t -68.19 142.59 55.64 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.338 1.055 . . . . 0.0 112.472 175.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -96.97 68.36 2.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.585 1.554 . . . . 0.0 110.646 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 C-N-CA 125.503 1.525 . . . . 0.0 113.424 -179.385 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 49.6 p90 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.377 0.132 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.88 155.95 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 125.33 1.452 . . . . 0.0 111.623 175.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -66.3 137.98 57.31 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 121.362 0.601 . . . . 0.0 110.877 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -151.35 168.6 24.31 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.982 0.913 . . . . 0.0 112.686 -168.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -123.15 137.43 54.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.082 1.353 . . . . 0.0 113.016 -170.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.5 mt -147.11 147.44 30.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.323 2.249 . . . . 0.0 110.739 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 83.5 m -129.91 153.05 48.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.011 1.324 . . . . 0.0 111.875 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.06 -130.32 28.13 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.818 1.199 . . . . 0.0 114.761 169.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -56.96 -30.05 63.74 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -75.85 -31.53 59.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.202 0.91 . . . . 0.0 112.848 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -45.26 78.43 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 109.552 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.07 -45.55 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.691 0.797 . . . . 0.0 111.384 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.95 -45.34 86.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.217 -0.927 . . . . 0.0 111.278 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.32 83.54 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -36.12 77.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.515 1.052 . . . . 0.0 111.137 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -68.36 -42.41 79.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.813 0.445 . . . . 0.0 112.156 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.2 -44.55 88.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.481 1.112 . . . . 0.0 112.259 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.66 -31.78 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.818 0.735 . . . . 0.0 111.059 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.15 12.18 8.37 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.09 -97.77 0.6 Allowed Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.327 1.442 . . . . 0.0 113.922 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.6 -5.67 23.63 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.664 1.585 . . . . 0.0 114.309 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -117.62 167.35 11.41 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.633 1.973 . . . . 0.0 111.307 -174.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -159.26 -149.77 5.62 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.393 1.473 . . . . 0.0 111.592 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -76.21 -29.09 57.48 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.712 1.256 . . . . 0.0 113.812 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 72.3 t80 63.27 -52.28 0.2 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.699 2.799 . . . . 0.0 116.617 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -144.64 155.02 43.4 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.266 1.826 . . . . 0.0 111.707 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.8 t -67.37 143.63 97.45 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 123.589 0.756 . . . . 0.0 112.726 -176.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.16 153.02 55.34 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 123.1 2.533 . . . . 0.0 114.14 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -122.25 155.53 35.7 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.729 1.612 . . . . 0.0 111.931 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.3 t -71.49 156.32 39.57 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.531 0.733 . . . . 0.0 112.559 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.283 1.833 . . . . 0.0 112.346 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.5 mm -109.81 -55.9 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.683 1.193 . . . . 0.0 111.627 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -72.74 -56.92 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.602 0.361 . . . . 0.0 111.661 -169.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -35.18 77.05 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.41 -0.806 . . . . 0.0 112.839 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.34 -26.91 66.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 113.056 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.9 t -106.24 -23.95 12.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.899 1.279 . . . . 0.0 113.777 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -101.82 -28.52 12.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -169.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -116.83 -36.91 3.74 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.999 0.818 . . . . 0.0 112.168 170.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -84.31 156.92 21.7 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.642 -0.661 . . . . 0.0 109.3 166.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.14 139.77 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-O 123.075 1.417 . . . . 0.0 113.077 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -105.55 152.19 23.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 127.117 2.167 . . . . 0.0 111.387 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.6 p -148.38 163.62 36.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.845 1.258 . . . . 0.0 111.566 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.84 -35.15 75.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 122.023 -0.423 . . . . 0.0 111.953 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -62.69 -36.96 84.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.655 -0.653 . . . . 0.0 112.306 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -76.37 -44.09 37.91 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.667 -0.646 . . . . 0.0 110.904 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.65 -34.0 73.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.998 0.919 . . . . 0.0 112.104 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.12 -42.35 72.75 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.07 -1.019 . . . . 0.0 112.014 171.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.92 -31.24 72.38 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.42 -0.8 . . . . 0.0 113.15 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.92 -28.11 69.3 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.324 0.965 . . . . 0.0 112.733 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t -88.27 -42.46 12.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.419 1.088 . . . . 0.0 112.609 173.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -78.54 -27.3 45.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -170.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.57 1.557 . . . . 0.0 114.08 -179.662 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.212 0.053 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.86 148.81 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.83 1.652 . . . . 0.0 110.83 172.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -64.57 137.56 57.91 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.574 0.75 . . . . 0.0 111.363 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -147.21 -177.6 5.77 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.539 1.935 . . . . 0.0 110.519 -168.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -119.3 146.01 45.63 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.954 -1.092 . . . . 0.0 112.404 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.38 152.64 45.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.141 1.776 . . . . 0.0 110.247 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.01 43.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.419 1.087 . . . . 0.0 111.745 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.09 -133.69 37.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.63 1.109 . . . . 0.0 114.861 169.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -61.39 -28.22 69.08 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -72.77 -36.61 67.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.196 0.907 . . . . 0.0 111.645 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.5 -48.34 79.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.534 1.134 . . . . 0.0 110.202 170.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.75 -45.0 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.44 0.696 . . . . 0.0 111.515 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.341 0.973 . . . . 0.0 111.866 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.13 -45.57 84.54 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.564 -0.71 . . . . 0.0 111.838 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -32.56 74.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.269 -0.895 . . . . 0.0 111.714 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -46.83 87.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.378 1.071 . . . . 0.0 111.7 173.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.12 -37.7 57.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.347 1.059 . . . . 0.0 112.318 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.98 -27.37 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.545 0.738 . . . . 0.0 111.525 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.93 -13.62 47.14 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.92 -168.56 43.35 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.008 1.29 . . . . 0.0 113.351 -176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.12 -17.29 57.32 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -171.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -69.33 -32.61 71.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.183 1.393 . . . . 0.0 113.263 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.88 -177.41 2.09 Favored Glycine 0 N--CA 1.468 0.815 0 CA-C-O 123.379 1.544 . . . . 0.0 115.717 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -90.81 -26.59 19.35 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.084 -1.558 . . . . 0.0 113.095 -172.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 22.0 t80 53.48 48.76 21.06 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.234 1.814 . . . . 0.0 113.737 170.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -134.16 147.93 50.85 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.001 1.32 . . . . 0.0 111.826 177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 57.1 m -131.4 130.53 22.56 Favored Pre-proline 0 N--CA 1.473 0.684 0 C-N-CA 125.859 1.664 . . . . 0.0 108.836 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -55.74 150.04 46.9 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.393 2.729 . . . . 0.0 115.001 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -140.79 151.75 44.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.388 1.875 . . . . 0.0 110.617 -176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 89.8 m -77.58 112.25 14.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.452 0.701 . . . . 0.0 109.72 171.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.321 1.848 . . . . 0.0 112.606 -175.366 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm -132.77 -57.53 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.248 1.419 . . . . 0.0 110.289 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.88 -46.15 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.188 0.595 . . . . 0.0 112.489 -169.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -60.01 -34.31 73.17 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.896 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -60.07 -30.72 69.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.346 1.058 . . . . 0.0 113.059 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -107.32 -17.87 14.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.85 -37.45 9.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -172.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.5 p -106.08 -36.9 6.79 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.238 1.015 . . . . 0.0 111.212 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 m -94.88 178.75 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.773 1.629 . . . . 0.0 109.576 166.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -107.58 159.05 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.105 -0.997 . . . . 0.0 113.475 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 m -137.56 154.57 49.78 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.375 1.47 . . . . 0.0 112.566 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -121.87 177.63 5.21 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.373 1.469 . . . . 0.0 111.042 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.78 -28.78 66.27 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.685 1.194 . . . . 0.0 111.89 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.01 -41.03 82.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.175 0.99 . . . . 0.0 112.543 172.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.7 -39.48 36.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.728 -0.608 . . . . 0.0 111.44 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.37 -19.87 66.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.619 0.768 . . . . 0.0 112.657 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -97.16 -2.42 43.01 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -87.4 -35.88 18.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.778 -1.201 . . . . 0.0 111.551 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -67.35 -23.84 65.65 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p -83.68 -19.82 34.64 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 170.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.61 -28.25 14.44 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.141 1.376 . . . . 0.0 113.217 -174.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 C-N-CA 125.663 1.601 . . . . 0.0 114.367 -179.66 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . 0.275 30.7 m 43.81 -135.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.303 1.441 . . . . 0.0 111.8 -171.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -79.64 19.12 0.67 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -121.41 147.65 45.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.272 1.429 . . . . 0.0 112.912 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -91.77 160.81 15.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.924 1.689 . . . . 0.0 114.672 -169.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 69.0 mt -138.96 131.42 28.64 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.577 2.351 . . . . 0.0 109.559 171.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 73.9 m -129.16 143.96 51.04 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.698 1.199 . . . . 0.0 111.544 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.26 -127.23 25.17 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.706 1.146 . . . . 0.0 113.985 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 22.2 m -57.59 -28.03 63.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.668 1.187 . . . . 0.0 114.182 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -70.37 -36.36 74.09 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.004 0.82 . . . . 0.0 111.623 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.18 -43.42 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.346 1.059 . . . . 0.0 110.608 174.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.7 t -63.24 -43.9 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.586 -0.696 . . . . 0.0 111.631 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.92 -44.48 97.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.56 92.14 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -34.15 72.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.383 0.992 . . . . 0.0 111.391 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -37.15 78.77 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.99 -34.26 76.2 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.374 0.988 . . . . 0.0 112.407 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -79.05 -44.24 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.151 0.981 . . . . 0.0 112.271 177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 9.8 t -95.15 -20.12 19.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.59 -152.39 33.69 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.641 1.115 . . . . 0.0 113.04 -175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.84 -6.9 13.53 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.764 1.226 . . . . 0.0 114.075 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -70.4 -9.71 57.09 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.808 2.043 . . . . 0.0 113.472 170.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -54.16 154.43 8.38 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 125.686 1.612 . . . . 0.0 115.081 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.42 166.22 23.93 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -173.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -140.11 160.62 39.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.148 0.979 . . . . 0.0 111.46 169.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -123.08 155.27 37.27 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.9 1.68 . . . . 0.0 111.388 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 34.9 p -94.51 158.09 36.13 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 124.899 1.28 . . . . 0.0 112.416 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.0 159.97 19.96 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.666 2.911 . . . . 0.0 114.232 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -136.53 149.69 48.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.98 1.712 . . . . 0.0 111.45 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 41.5 p -108.09 -5.87 16.78 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.681 1.593 . . . . 0.0 114.245 -176.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 125.509 1.524 . . . . 0.0 113.139 178.724 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 CA-C-O 119.372 -0.682 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.6 mm 64.1 -51.23 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 129.666 3.187 . . . . 0.0 115.431 173.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.11 -41.11 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.207 1.403 . . . . 0.0 112.096 -174.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.47 -30.43 53.0 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.208 1.403 . . . . 0.0 113.689 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.41 -23.25 65.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.812 1.245 . . . . 0.0 113.138 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.19 -10.15 5.87 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 172.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 t -89.84 -33.77 16.36 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.5 1.045 . . . . 0.0 113.391 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.6 p -113.48 -34.31 5.62 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.475 1.11 . . . . 0.0 111.622 173.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -97.66 -171.95 2.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.593 1.557 . . . . 0.0 109.725 166.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.59 153.2 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.303 1.041 . . . . 0.0 112.2 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.26 172.08 8.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.8 1.64 . . . . 0.0 112.683 -171.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 t -146.07 171.93 14.16 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.424 1.49 . . . . 0.0 110.681 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.5 mt -51.65 -37.23 49.43 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.522 1.529 . . . . 0.0 111.996 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -68.28 -14.29 62.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.29 1.436 . . . . 0.0 114.001 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -110.66 -37.42 5.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.454 1.502 . . . . 0.0 112.227 173.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.3 -30.69 68.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.675 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.02 -30.31 68.66 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.291 -0.881 . . . . 0.0 112.925 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -81.58 -29.49 33.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.317 1.047 . . . . 0.0 113.049 -174.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -68.34 -9.86 50.88 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.2 m -75.88 51.18 0.62 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.833 1.253 . . . . 0.0 112.787 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -68.26 125.44 26.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.976 1.31 . . . . 0.0 112.228 -174.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 C-N-CA 125.658 1.599 . . . . 0.0 113.151 173.238 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.49 142.89 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.928 0.891 . . . . 0.0 112.905 -175.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -89.56 40.62 1.0 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.576 1.55 . . . . 0.0 113.006 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -129.18 154.2 46.98 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.219 1.808 . . . . 0.0 111.288 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -74.98 151.1 38.84 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.9 mt -133.9 134.38 42.6 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.039 2.136 . . . . 0.0 108.965 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.6 t -137.19 154.27 50.24 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -173.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.74 -132.03 49.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.638 1.113 . . . . 0.0 113.074 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -55.59 -31.36 62.16 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.315 1.046 . . . . 0.0 113.657 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.44 -31.43 65.45 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.391 0.996 . . . . 0.0 112.867 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.29 -40.51 58.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.406 1.082 . . . . 0.0 110.84 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.39 -43.52 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.145 0.578 . . . . 0.0 110.531 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.95 -40.37 95.32 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.175 -0.953 . . . . 0.0 111.534 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.01 0.823 . . . . 0.0 112.895 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.46 -39.44 85.34 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.648 1.113 . . . . 0.0 111.345 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -62.44 -40.29 96.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.14 -37.29 83.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.064 -1.022 . . . . 0.0 112.525 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.17 -44.74 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.239 0.616 . . . . 0.0 112.389 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 7.2 p -89.4 -17.03 29.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.44 -154.73 30.22 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.92 1.248 . . . . 0.0 113.569 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -64.05 -16.42 61.66 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -172.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.98 83.14 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.717 1.207 . . . . 0.0 112.457 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.39 -151.45 18.05 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.414 1.483 . . . . 0.0 115.802 169.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.77 142.8 35.03 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.191 -1.182 . . . . 0.0 111.466 169.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 48.92 -120.06 1.3 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.033 2.133 . . . . 0.0 114.315 171.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -148.42 156.05 41.99 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.488 1.515 . . . . 0.0 111.693 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 15.2 t -141.2 137.3 16.62 Favored Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 125.009 1.324 . . . . 0.0 110.814 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -60.64 153.55 61.02 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.179 2.586 . . . . 0.0 114.852 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -128.55 154.66 45.94 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.269 1.828 . . . . 0.0 111.314 173.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 24.6 p -70.17 152.5 44.21 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.52 1.128 . . . . 0.0 112.334 176.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? . . . . . 0 C--O 1.252 1.191 0 C-N-CA 126.72 2.008 . . . . 0.0 111.452 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.348 9.3 tp 55.71 -41.56 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 130.868 3.667 . . . . 0.0 116.849 -176.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.71 -39.48 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.32 -1.488 . . . . 0.0 111.943 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -69.16 -7.64 38.14 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -85.73 -26.42 25.88 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.278 -0.889 . . . . 0.0 112.799 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -134.06 -18.95 2.02 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -169.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -90.59 -43.43 10.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.847 1.203 . . . . 0.0 112.297 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -77.71 -27.68 50.72 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -142.88 154.71 44.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.716 2.006 . . . . 0.0 110.65 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.78 150.1 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.883 0.873 . . . . 0.0 113.072 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -145.42 170.45 16.33 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.063 0.945 . . . . 0.0 112.317 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 m -126.04 155.93 40.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.648 1.179 . . . . 0.0 112.533 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.74 -36.11 71.62 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.648 -0.658 . . . . 0.0 112.589 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.72 -32.35 67.32 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.656 1.182 . . . . 0.0 113.393 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -84.78 -34.75 22.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.252 1.021 . . . . 0.0 111.857 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.85 -26.76 67.06 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 112.339 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.12 -22.36 50.55 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.007 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.76 -23.79 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.891 -1.13 . . . . 0.0 113.322 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -108.22 1.98 22.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.115 1.366 . . . . 0.0 113.512 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 p -115.53 165.26 13.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.51 1.124 . . . . 0.0 113.327 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -74.56 78.94 1.97 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.39 1.876 . . . . 0.0 112.098 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 C-N-CA 125.066 1.317 . . . . 0.0 112.543 173.51 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.702 0.287 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.7 m -70.37 154.23 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.516 1.126 . . . . 0.0 113.352 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -80.83 59.24 3.63 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.602 1.561 . . . . 0.0 112.316 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -105.26 135.62 46.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.128 1.371 . . . . 0.0 112.806 -170.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -90.04 138.83 31.18 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.711 1.205 . . . . 0.0 109.268 168.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.29 132.55 54.05 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.569 1.147 . . . . 0.0 109.592 172.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -142.2 149.24 39.42 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.979 0.911 . . . . 0.0 111.847 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.01 -131.35 36.98 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.156 0.884 . . . . 0.0 113.617 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.0 m -55.76 -30.05 60.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.84 1.256 . . . . 0.0 113.747 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -74.73 -28.45 60.79 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.33 0.968 . . . . 0.0 112.888 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.24 -45.72 65.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.929 1.292 . . . . 0.0 109.666 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -45.7 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.446 0.698 . . . . 0.0 110.752 173.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.1 -45.35 91.1 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.089 -1.007 . . . . 0.0 111.75 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.69 82.45 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.195 0.907 . . . . 0.0 113.37 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.59 -32.39 62.35 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.366 0.984 . . . . 0.0 112.085 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.54 -44.8 93.12 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.107 -0.996 . . . . 0.0 110.775 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.87 -37.46 79.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.741 1.616 . . . . 0.0 112.919 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.9 -29.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.676 1.125 . . . . 0.0 111.576 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 11.1 m -89.28 16.88 6.67 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.058 0.943 . . . . 0.0 113.366 168.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.65 -86.7 0.27 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.852 1.692 . . . . 0.0 112.97 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -136.04 4.41 2.98 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.937 1.695 . . . . 0.0 112.933 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -77.08 -13.27 59.98 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -168.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.29 -167.72 45.56 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.381 1.467 . . . . 0.0 116.364 170.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.15 149.35 33.04 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.3 1.44 . . . . 0.0 113.39 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.06 153.55 43.04 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.349 0.66 . . . . 0.0 112.507 168.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -136.92 18.25 3.02 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.064 1.345 . . . . 0.0 113.645 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 6.4 t -139.85 144.98 40.77 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 125.717 1.607 . . . . 0.0 111.695 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -74.44 -10.9 22.45 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 123.374 2.716 . . . . 0.0 113.309 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.76 154.05 42.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.547 1.139 . . . . 0.0 112.546 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 10.0 t -146.47 165.76 28.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.269 1.428 . . . . 0.0 111.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 125.994 1.717 . . . . 0.0 112.431 -176.888 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.7 mm -60.06 -55.1 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.0 1.32 . . . . 0.0 112.079 -171.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.43 -43.9 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.074 0.55 . . . . 0.0 111.295 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.5 -41.3 63.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.278 1.431 . . . . 0.0 112.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -66.14 -29.66 70.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.97 -15.38 16.14 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -87.96 -32.69 18.75 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.225 -0.922 . . . . 0.0 112.955 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -93.4 -19.8 20.95 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -151.57 169.04 23.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.102 1.761 . . . . 0.0 110.395 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -64.89 153.02 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 121.311 -0.868 . . . . 0.0 112.803 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -137.31 170.89 15.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.163 0.985 . . . . 0.0 113.133 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.5 p -117.33 168.36 10.41 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.617 1.967 . . . . 0.0 113.077 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -54.62 -39.97 68.46 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.532 -0.73 . . . . 0.0 111.673 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.82 -23.01 65.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.774 0.83 . . . . 0.0 112.972 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -85.41 -36.67 20.53 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.62 0.768 . . . . 0.0 111.27 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.87 -33.7 74.67 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.645 -0.659 . . . . 0.0 111.157 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.85 -4.42 27.93 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.427 1.491 . . . . 0.0 114.825 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -110.59 -24.72 10.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.862 1.265 . . . . 0.0 113.509 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -71.99 -22.74 61.38 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 p -73.81 156.78 37.43 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -66.11 106.33 1.6 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.603 1.561 . . . . 0.0 112.307 -173.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.121 0 C-N-CA 125.3 1.428 . . . . 0.0 112.844 178.234 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 93.5 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.634 0.254 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -142.86 146.89 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.841 1.657 . . . . 0.0 109.78 171.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -65.44 138.83 58.37 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 122.69 0.396 . . . . 0.0 111.528 -176.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -140.34 156.9 46.26 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.196 1.398 . . . . 0.0 111.214 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -93.64 140.5 29.56 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.099 0.96 . . . . 0.0 110.959 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.65 143.37 28.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.287 1.835 . . . . 0.0 110.029 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.62 156.82 46.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.395 0.678 . . . . 0.0 112.045 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.09 -134.79 47.95 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.061 0.839 . . . . 0.0 114.115 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.9 p -56.53 -31.93 64.62 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.66 -35.7 70.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.226 0.921 . . . . 0.0 111.86 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.9 -40.78 71.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.06 0.944 . . . . 0.0 112.047 173.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.8 -47.42 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.813 0.845 . . . . 0.0 110.426 173.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.45 -41.14 98.53 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.275 -0.891 . . . . 0.0 111.662 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.91 95.42 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.252 3.9 pp -73.65 -30.3 62.85 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.942 1.246 . . . . 0.0 112.451 174.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.05 -29.18 68.9 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.348 0.977 . . . . 0.0 113.291 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.51 -40.61 22.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.145 0.978 . . . . 0.0 112.802 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 97.0 t -88.72 -33.16 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.857 0.863 . . . . 0.0 112.639 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 23.9 t -108.03 -3.46 18.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.001 1.32 . . . . 0.0 113.536 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.59 -141.58 32.36 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 120.857 -1.152 . . . . 0.0 114.422 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -65.6 -10.63 37.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.749 1.62 . . . . 0.0 114.61 -170.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -56.23 -41.65 76.02 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.76 1.224 . . . . 0.0 112.519 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 61.89 -160.59 29.79 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.071 0.843 . . . . 0.0 114.442 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -81.94 154.84 25.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.228 1.011 . . . . 0.0 113.26 -175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -61.12 149.41 37.32 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.793 0.837 . . . . 0.0 112.978 173.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -74.19 156.29 37.46 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.094 0.958 . . . . 0.0 112.139 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 17.5 p -70.78 142.3 88.17 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 123.803 0.841 . . . . 0.0 112.117 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -75.11 158.02 42.01 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.327 2.685 . . . . 0.0 112.696 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -75.68 0.64 17.01 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.312 1.445 . . . . 0.0 114.872 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 36.5 p -78.61 -13.2 59.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.838 1.655 . . . . 0.0 114.415 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 30.1 ptt-85 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.072 1.749 . . . . 0.0 113.298 -178.498 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.4 -42.37 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.516 -0.74 . . . . 0.0 111.044 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -34.07 71.59 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -67.73 -13.27 61.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.266 1.027 . . . . 0.0 113.754 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.84 -18.66 9.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.402 1.081 . . . . 0.0 113.818 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.98 -51.71 5.67 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.045 -1.034 . . . . 0.0 112.888 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.8 p -88.89 -18.23 27.98 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 121.232 -0.918 . . . . 0.0 113.204 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.3 m -136.18 151.78 50.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.906 2.082 . . . . 0.0 109.847 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.5 pt -63.53 150.25 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -129.47 163.21 26.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -104.43 171.61 7.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.589 1.956 . . . . 0.0 113.834 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.08 -37.63 74.85 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.363 -0.836 . . . . 0.0 111.617 169.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.03 66.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -80.54 -41.01 24.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.646 0.779 . . . . 0.0 110.848 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.57 -31.49 72.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.871 0.868 . . . . 0.0 111.818 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.16 -46.29 77.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.066 -1.021 . . . . 0.0 111.453 168.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.67 -36.77 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.62 -0.675 . . . . 0.0 112.747 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -66.03 -17.09 64.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 124.148 0.979 . . . . 0.0 112.586 171.405 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -144.45 134.58 24.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.896 1.678 . . . . 0.0 110.289 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 82.9 m -127.37 150.08 49.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.534 1.134 . . . . 0.0 111.689 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.48 -126.63 28.61 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.701 1.143 . . . . 0.0 114.364 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.8 m -58.74 -28.68 66.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.44 1.096 . . . . 0.0 113.61 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -75.08 -35.18 61.82 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.258 0.935 . . . . 0.0 111.852 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.92 -41.71 86.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.177 0.991 . . . . 0.0 110.897 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.4 -50.97 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.044 0.537 . . . . 0.0 111.129 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.71 -43.28 90.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.307 0.958 . . . . 0.0 111.837 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.28 87.85 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -36.92 84.49 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.602 1.092 . . . . 0.0 111.182 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.42 -44.14 88.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.609 0.764 . . . . 0.0 111.279 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -41.03 78.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.852 0.861 . . . . 0.0 112.434 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.12 -32.28 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.453 0.701 . . . . 0.0 111.269 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.552 1.045 0 C-N-CA 124.776 1.23 . . . . 0.0 114.021 172.857 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.27 -43.24 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.189 -0.945 . . . . 0.0 109.455 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.41 18.97 0.27 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.14 1.376 . . . . 0.0 114.203 174.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -125.86 -53.26 1.54 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 111.169 169.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.22 -9.96 43.38 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -102.52 -32.49 9.91 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.496 1.043 . . . . 0.0 112.457 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 p -78.08 -26.67 48.29 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.123 1.369 . . . . 0.0 113.135 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -136.07 175.16 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.622 1.969 . . . . 0.0 110.304 172.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.26 142.52 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 122.436 1.113 . . . . 0.0 112.429 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -94.48 163.24 13.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 t -149.91 154.33 38.13 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.98 1.712 . . . . 0.0 110.19 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.11 -37.45 34.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.974 0.91 . . . . 0.0 112.32 169.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.47 -29.36 69.46 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.274 1.03 . . . . 0.0 113.079 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -82.25 -39.91 22.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.122 0.969 . . . . 0.0 110.798 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.94 -38.71 91.86 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.725 1.21 . . . . 0.0 112.457 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.77 -28.27 68.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 175.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -63.69 -33.09 74.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.414 -0.804 . . . . 0.0 112.142 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -71.12 -21.55 62.19 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.515 0.726 . . . . 0.0 112.737 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.2 m . . . . . 0 CA--C 1.551 0.998 0 C-N-CA 125.226 1.41 . . . . 0.0 113.084 168.808 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.49 134.63 41.7 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.782 1.633 . . . . 0.0 110.526 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.76 154.55 47.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.71 1.204 . . . . 0.0 111.758 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.48 -125.46 10.8 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.267 1.413 . . . . 0.0 114.942 168.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 10.1 t -57.45 -37.17 72.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.435 1.094 . . . . 0.0 113.096 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.86 -33.82 72.77 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.33 -0.856 . . . . 0.0 112.248 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 42.8 tp -70.83 -39.14 73.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.15 0.98 . . . . 0.0 111.391 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.2 -46.21 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.239 0.616 . . . . 0.0 110.899 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.67 -42.95 99.62 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.376 -0.828 . . . . 0.0 111.672 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.32 93.75 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.517 -0.739 . . . . 0.0 112.979 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -28.95 61.57 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.661 0.664 . . . . 0.0 112.12 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -44.7 86.55 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.196 -0.94 . . . . 0.0 111.084 169.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.48 -36.73 81.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.252 1.021 . . . . 0.0 113.243 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.3 -34.47 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.451 1.023 . . . . 0.0 112.409 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.307 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.56 -42.13 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.239 0.615 . . . . 0.0 110.468 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.57 20.18 0.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.005 -1.059 . . . . 0.0 113.615 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -122.27 -46.43 2.18 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.952 1.701 . . . . 0.0 111.168 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.13 -14.28 27.41 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.32 -16.88 26.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.006 0.922 . . . . 0.0 112.059 171.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -102.86 -39.89 6.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.752 2.021 . . . . 0.0 112.794 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -118.09 168.54 10.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.035 2.134 . . . . 0.0 109.747 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.58 153.57 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 120.716 -1.24 . . . . 0.0 111.176 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.3 m -136.24 155.25 50.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.274 1.03 . . . . 0.0 112.651 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -121.57 151.75 40.01 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.309 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.78 -36.61 67.55 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -65.87 -16.54 63.94 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -90.57 -24.88 20.45 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.248 1.819 . . . . 0.0 111.329 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.8 mt -81.68 -31.13 32.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.362 1.065 . . . . 0.0 112.969 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.38 -18.17 57.51 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -56.82 -33.56 66.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.663 1.185 . . . . 0.0 112.73 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -5.87 59.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.619 1.168 . . . . 0.0 113.989 -175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.1 m . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 173.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.1 mt -136.74 125.86 24.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.399 1.88 . . . . 0.0 109.439 171.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.83 143.17 51.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.041 1.336 . . . . 0.0 110.931 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.01 -125.69 20.3 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.354 0.978 . . . . 0.0 114.023 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.9 m -59.13 -29.37 67.36 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -71.32 -35.16 71.14 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.37 0.987 . . . . 0.0 111.661 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.09 -45.25 74.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.183 1.393 . . . . 0.0 110.666 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.42 -43.35 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 111.059 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.04 -41.52 96.74 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.989 -1.07 . . . . 0.0 111.911 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.84 84.77 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -28.75 65.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.152 0.887 . . . . 0.0 112.156 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.3 -49.12 68.14 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.242 -0.911 . . . . 0.0 111.274 168.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.01 -40.33 97.43 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.246 1.019 . . . . 0.0 112.976 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.81 -29.42 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.219 0.918 . . . . 0.0 112.512 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 CA--C 1.548 0.872 0 C-N-CA 124.425 1.09 . . . . 0.0 113.777 178.016 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.2 -42.98 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.146 0.578 . . . . 0.0 112.053 -173.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.95 -35.08 68.68 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.66 0.784 . . . . 0.0 112.891 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -63.01 -29.48 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.943 0.897 . . . . 0.0 113.179 -173.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -112.66 -19.83 11.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -92.52 -37.71 12.35 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.192 1.36 . . . . 0.0 113.858 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.1 p -107.92 -31.64 7.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.342 1.057 . . . . 0.0 111.992 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -98.36 161.31 13.75 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.561 1.544 . . . . 0.0 109.952 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -88.58 155.18 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -145.07 164.4 31.33 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -174.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -118.44 161.92 19.19 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.899 2.08 . . . . 0.0 113.114 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -54.69 -38.26 66.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.094 0.957 . . . . 0.0 112.857 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -70.82 -17.11 62.76 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -86.57 -37.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.027 0.931 . . . . 0.0 110.886 169.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.99 -34.63 78.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.412 0.685 . . . . 0.0 111.495 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.16 -29.19 67.26 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -68.89 -35.28 76.67 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.197 -0.939 . . . . 0.0 112.179 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.22 -18.83 63.18 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.643 1.177 . . . . 0.0 112.766 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.547 0.851 0 C-N-CA 127.109 2.164 . . . . 0.0 112.901 173.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 73.4 mt -137.24 134.25 35.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.026 2.13 . . . . 0.0 108.722 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.06 152.8 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.275 0.63 . . . . 0.0 112.171 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.86 -130.75 36.05 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.11 0.862 . . . . 0.0 112.836 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 16.5 m -56.67 -28.36 60.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -73.56 -33.71 64.81 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.598 1.09 . . . . 0.0 112.117 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tt -68.2 -44.33 76.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 109.889 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.28 -44.84 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.446 0.698 . . . . 0.0 111.151 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.29 -46.21 86.5 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.166 -0.959 . . . . 0.0 111.554 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.04 90.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.95 -35.91 67.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.098 0.863 . . . . 0.0 111.591 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.82 -40.18 91.59 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.209 -0.932 . . . . 0.0 111.582 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 47.2 mt -67.87 -42.73 80.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.594 0.633 . . . . 0.0 112.486 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.84 -31.4 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.254 0.933 . . . . 0.0 112.132 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 27.8 m . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 174.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.29 -41.38 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -169.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.5 -28.89 65.81 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -67.86 -31.43 71.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.585 -0.697 . . . . 0.0 111.988 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.99 -24.22 10.49 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.84 -49.42 6.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.345 0.975 . . . . 0.0 113.092 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.8 p -94.5 -37.99 11.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.837 0.855 . . . . 0.0 111.727 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -95.16 -174.92 3.36 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.155 1.382 . . . . 0.0 110.068 167.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.15 153.4 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.474 1.11 . . . . 0.0 111.886 170.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.6 p -137.12 157.79 45.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.972 0.909 . . . . 0.0 113.222 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -103.73 161.86 13.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.26 1.824 . . . . 0.0 112.941 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.82 -37.73 69.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.083 0.953 . . . . 0.0 112.384 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -72.0 -17.8 62.02 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.99 -38.82 17.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.068 0.947 . . . . 0.0 111.012 171.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.36 -34.39 73.79 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.769 0.828 . . . . 0.0 111.507 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.37 -30.93 71.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.308 1.043 . . . . 0.0 113.232 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.48 -27.52 61.44 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.708 -1.245 . . . . 0.0 112.06 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.22 -15.79 61.94 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.241 -0.912 . . . . 0.0 112.747 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 m . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 125.865 1.666 . . . . 0.0 113.639 173.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 CA--C 1.537 0.454 0 CA-C-O 121.07 0.462 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 21.9 mt -140.58 125.77 18.61 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.504 1.922 . . . . 0.0 108.705 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.3 t -138.15 147.33 43.78 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.65 -123.93 24.9 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.998 0.808 . . . . 0.0 113.068 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 24.9 p -56.71 -29.33 62.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -75.25 -32.13 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.452 1.024 . . . . 0.0 111.812 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.33 -43.14 70.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.749 1.219 . . . . 0.0 110.135 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.3 -47.54 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.341 0.657 . . . . 0.0 110.979 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.14 -40.13 84.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.02 -1.05 . . . . 0.0 111.994 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.65 82.77 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.59 -29.84 65.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.956 1.253 . . . . 0.0 111.648 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.99 -36.41 79.98 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.091 -1.006 . . . . 0.0 112.119 168.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 53.0 mt -68.36 -32.9 73.31 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.727 -1.233 . . . . 0.0 112.101 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.96 -40.83 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.624 0.77 . . . . 0.0 112.401 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 70.1 m . . . . . 0 CA--C 1.548 0.868 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -170.05 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.61 -45.03 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.298 0.499 . . . . 0.0 110.431 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.68 -41.51 86.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.28 1.032 . . . . 0.0 111.85 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -61.53 -20.49 63.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.339 1.455 . . . . 0.0 113.805 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.09 -3.53 13.96 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -106.92 -46.69 3.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.61 1.095 . . . . 0.0 113.495 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -94.48 -33.53 13.05 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.935 0.788 . . . . 0.0 111.704 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 p -111.47 172.62 6.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.556 1.942 . . . . 0.0 110.345 168.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 pt -93.64 151.11 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.048 0.939 . . . . 0.0 113.037 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -142.22 169.86 16.8 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.239 1.016 . . . . 0.0 112.003 169.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 p -129.38 -179.3 5.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.027 1.731 . . . . 0.0 112.539 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.12 -33.51 52.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.296 1.038 . . . . 0.0 112.637 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -71.08 -17.65 62.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.458 1.103 . . . . 0.0 113.415 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -94.48 -35.95 12.08 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.034 0.933 . . . . 0.0 111.676 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.83 -31.75 72.88 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.372 -0.83 . . . . 0.0 112.013 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.44 -5.82 51.21 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 168.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -95.57 -45.34 7.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.131 -0.981 . . . . 0.0 111.819 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.27 -26.84 68.67 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 CA--C 1.546 0.805 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.841 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 78.1 mt -142.99 144.06 32.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.716 2.006 . . . . 0.0 110.344 169.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.67 153.91 46.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.525 1.13 . . . . 0.0 112.769 -170.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.78 -132.02 36.05 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.971 1.272 . . . . 0.0 114.529 169.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.8 m -57.69 -29.28 64.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.209 1.004 . . . . 0.0 113.417 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.6 -28.41 60.89 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.298 -0.877 . . . . 0.0 112.868 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.92 -43.68 71.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.426 0.69 . . . . 0.0 109.99 170.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.07 -44.09 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.273 0.629 . . . . 0.0 111.455 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.14 -33.98 74.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 112.114 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.38 88.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.292 -0.88 . . . . 0.0 112.395 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.25 -48.32 80.79 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.629 1.104 . . . . 0.0 109.572 169.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -67.35 -8.96 36.63 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -107.53 -35.36 6.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.029 1.332 . . . . 0.0 113.433 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.37 -38.65 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.251 1.02 . . . . 0.0 112.052 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 25.9 t . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 125.361 1.464 . . . . 0.0 112.24 174.765 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -71.88 -38.94 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.008 0.523 . . . . 0.0 112.084 -170.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.47 -39.47 73.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.467 1.107 . . . . 0.0 112.75 -173.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.08 -33.16 73.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.654 1.182 . . . . 0.0 113.351 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.45 -8.27 15.62 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.37 -39.65 12.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.947 0.899 . . . . 0.0 111.84 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.2 p -85.01 -20.85 29.85 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -141.97 161.55 37.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.756 2.022 . . . . 0.0 110.897 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 pt -70.48 153.15 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.337 0.655 . . . . 0.0 112.296 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.7 m -135.22 158.52 44.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.763 1.225 . . . . 0.0 113.565 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -105.94 159.65 15.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.642 1.577 . . . . 0.0 111.575 170.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -54.04 -33.76 58.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 112.93 -173.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.716 0.806 . . . . 0.0 113.156 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -73.28 -34.29 65.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.823 0.849 . . . . 0.0 110.902 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.48 -39.18 71.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.855 0.862 . . . . 0.0 111.112 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -62.05 -35.79 79.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.783 0.833 . . . . 0.0 112.129 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.41 -29.21 67.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.127 0.971 . . . . 0.0 113.353 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.9 -5.8 54.55 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 126.059 1.743 . . . . 0.0 112.996 177.726 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 CA--C 1.54 0.591 0 CA-C-O 121.209 0.528 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.0 109.72 15.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.646 1.579 . . . . 0.0 109.518 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 81.4 m -122.18 140.22 52.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.249 1.419 . . . . 0.0 110.847 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.71 -120.62 12.42 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.123 0.868 . . . . 0.0 113.135 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 26.3 m -59.28 -25.52 64.18 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -74.74 -29.52 61.19 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.798 1.181 . . . . 0.0 112.053 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -47.86 70.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.751 1.221 . . . . 0.0 109.824 171.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.45 -49.69 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 111.032 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.98 -41.54 96.66 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.61 83.54 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.11 -32.33 70.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.017 1.28 . . . . 0.0 111.888 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.27 -34.05 72.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.037 0.835 . . . . 0.0 112.736 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -69.63 -37.45 76.82 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.072 -1.017 . . . . 0.0 112.61 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.28 -45.31 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.575 0.625 . . . . 0.0 111.973 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -171.079 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.2 mm . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -43.76 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.871 0.869 . . . . 0.0 112.253 -171.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.52 -46.0 77.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.552 1.141 . . . . 0.0 111.867 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -66.87 -36.93 83.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.54 -15.6 21.55 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 t -86.79 -38.82 16.5 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.308 -0.87 . . . . 0.0 111.544 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.4 p -86.7 -19.18 29.58 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -143.86 160.71 40.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.517 1.927 . . . . 0.0 111.359 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.21 147.28 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.139 -0.975 . . . . 0.0 112.711 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -119.56 153.36 35.52 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.696 1.198 . . . . 0.0 113.936 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 m -100.5 163.21 12.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.27 1.828 . . . . 0.0 111.991 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.34 -40.85 65.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.702 0.801 . . . . 0.0 111.774 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.91 -20.54 65.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.476 1.11 . . . . 0.0 113.802 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -85.87 -46.92 10.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.97 0.908 . . . . 0.0 110.795 172.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.34 -31.84 73.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.191 0.996 . . . . 0.0 112.813 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.18 -16.05 61.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.299 1.04 . . . . 0.0 113.387 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -87.26 -29.64 21.5 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.986 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -73.88 -21.56 60.04 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 p . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -172.264 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.121 0.486 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 74.2 mt -140.92 126.58 19.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.312 1.845 . . . . 0.0 109.342 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.19 145.44 43.69 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.553 0.741 . . . . 0.0 111.236 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.57 -127.25 33.62 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.216 0.912 . . . . 0.0 113.219 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.1 p -56.06 -31.43 63.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 114.192 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -71.09 -33.82 70.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.425 1.012 . . . . 0.0 111.883 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.72 -43.37 69.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.506 1.122 . . . . 0.0 110.609 174.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.01 -45.61 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.443 0.697 . . . . 0.0 111.195 174.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.4 -42.07 99.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.476 -0.765 . . . . 0.0 111.616 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.51 93.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.93 -29.94 68.3 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.666 -1.272 . . . . 0.0 112.282 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.43 -19.68 62.96 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.09 -40.13 14.03 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.128 0.971 . . . . 0.0 112.15 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.03 -41.67 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.926 0.89 . . . . 0.0 112.104 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 34.2 t . . . . . 0 CA--C 1.549 0.904 0 C-N-CA 124.886 1.274 . . . . 0.0 113.339 178.674 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.28 -50.08 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 122.861 0.464 . . . . 0.0 110.469 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -57.98 -39.62 78.64 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.943 0.897 . . . . 0.0 112.05 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.78 -25.29 64.79 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.66 -18.0 12.88 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 171.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -97.13 -36.79 10.36 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.2 p -109.25 -32.15 7.3 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.618 1.167 . . . . 0.0 111.64 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -93.54 155.33 17.38 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.459 1.504 . . . . 0.0 109.318 166.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -73.55 144.72 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 120.978 -1.076 . . . . 0.0 112.87 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -110.15 148.95 30.8 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.573 1.949 . . . . 0.0 112.653 -169.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -154.0 157.18 38.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.683 1.593 . . . . 0.0 111.447 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.48 -45.77 13.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.3 1.04 . . . . 0.0 112.467 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.52 -3.75 19.54 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -97.7 -48.39 5.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.357 1.463 . . . . 0.0 110.391 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.52 -29.25 69.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.18 -15.41 14.63 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.021 1.328 . . . . 0.0 114.266 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -89.39 -50.4 6.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 110.92 174.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -70.69 -5.53 30.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.033 1.333 . . . . 0.0 114.577 -169.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 CA--C 1.543 0.682 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 174.342 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 99.5 mt -137.45 135.77 37.17 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.427 2.291 . . . . 0.0 109.351 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 1.7 t -137.56 153.83 49.9 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.583 0.753 . . . . 0.0 112.398 -172.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.95 -130.78 36.47 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 123.968 0.794 . . . . 0.0 113.876 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 30.9 p -58.54 -27.97 65.04 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -73.12 -32.89 65.21 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.793 1.179 . . . . 0.0 112.104 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.53 -46.86 74.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.607 1.163 . . . . 0.0 110.206 171.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.71 -42.47 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.377 0.671 . . . . 0.0 111.852 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -39.7 93.99 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.006 -1.059 . . . . 0.0 111.776 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.21 87.27 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.11 -30.29 70.27 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.455 1.48 . . . . 0.0 112.21 176.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.0 -42.17 81.15 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.737 -0.602 . . . . 0.0 112.045 170.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 73.4 mt -71.35 -35.45 71.17 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.07 -1.019 . . . . 0.0 113.016 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.72 -33.85 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.715 1.206 . . . . 0.0 111.874 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 58.3 m . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -174.296 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.69 -38.85 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.278 -0.889 . . . . 0.0 110.88 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -74.61 1.16 12.8 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.574 1.15 . . . . 0.0 114.075 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.82 -40.78 8.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.604 1.162 . . . . 0.0 112.054 170.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -114.42 -16.98 11.87 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.48 -50.97 6.84 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.865 1.211 . . . . 0.0 110.816 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 p -85.25 -13.11 50.84 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.426 1.49 . . . . 0.0 114.033 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.8 169.63 17.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.953 1.701 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.5 138.33 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 0.0 110.898 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.93 163.24 26.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.2 1.4 . . . . 0.0 113.068 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -132.75 153.98 50.67 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.72 2.008 . . . . 0.0 110.436 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.7 -32.93 45.23 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.043 0.937 . . . . 0.0 113.342 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.62 -25.01 65.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.33 1.452 . . . . 0.0 113.876 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -87.55 -33.09 19.05 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.805 1.642 . . . . 0.0 111.788 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.56 -25.62 65.0 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.92 -22.53 5.68 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.927 1.291 . . . . 0.0 114.202 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -60.99 -42.12 97.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.494 1.118 . . . . 0.0 112.379 175.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -83.36 -10.89 58.18 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 CA--C 1.548 0.88 0 C-N-CA 126.008 1.723 . . . . 0.0 115.0 176.591 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 . . . . . 0 CA--C 1.541 0.606 0 CA-C-O 121.007 0.432 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 64.0 mt -140.19 120.42 13.86 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.244 1.818 . . . . 0.0 109.422 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.0 146.24 48.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.88 0.872 . . . . 0.0 111.574 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.46 -126.02 27.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.126 0.87 . . . . 0.0 113.178 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -57.81 -29.26 64.76 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -71.49 -34.07 69.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.645 1.111 . . . . 0.0 111.673 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.51 -46.37 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.312 1.045 . . . . 0.0 110.198 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.83 -46.66 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.995 0.918 . . . . 0.0 111.073 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.44 -36.65 78.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.619 0.768 . . . . 0.0 111.947 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.71 85.17 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.22 0.918 . . . . 0.0 113.085 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.25 -48.58 79.29 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 109.643 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -67.91 -21.42 65.13 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.08 -43.06 22.46 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.124 -0.985 . . . . 0.0 112.251 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.1 p -84.46 -31.97 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 125.326 1.451 . . . . 0.0 113.839 -179.706 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 120.568 0.223 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.84 -44.79 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.266 1.426 . . . . 0.0 111.89 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -58.2 -30.7 66.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.626 1.171 . . . . 0.0 113.517 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -73.15 -8.17 54.58 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.765 1.626 . . . . 0.0 114.561 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 m -125.57 -17.08 5.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.073 1.749 . . . . 0.0 113.609 168.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.43 -33.75 17.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.392 1.077 . . . . 0.0 112.806 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.1 p -74.62 -32.44 62.31 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 120.764 -1.21 . . . . 0.0 113.091 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.8 p -157.79 165.41 35.39 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.284 1.834 . . . . 0.0 111.017 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 pt -58.28 143.17 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.633 0.773 . . . . 0.0 111.976 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.3 p -128.98 178.05 6.67 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -168.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -85.05 151.36 24.21 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.513 0.725 . . . . 0.0 112.687 -173.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.88 -33.28 73.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.431 169.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -65.2 -27.9 69.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.259 1.024 . . . . 0.0 113.225 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.77 -45.19 62.43 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.499 -0.751 . . . . 0.0 110.101 173.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.44 -31.57 72.4 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.335 -0.853 . . . . 0.0 112.61 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.69 -11.59 60.69 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.079 0.952 . . . . 0.0 113.406 169.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -97.18 -30.22 13.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.421 1.488 . . . . 0.0 112.435 174.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -77.14 -23.98 51.66 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.873 0.76 . . . . 0.0 112.64 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 CA--C 1.547 0.863 0 C-N-CA 123.999 0.919 . . . . 0.0 112.883 171.152 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 121.127 0.489 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.0 89.01 4.4 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.727 1.211 . . . . 0.0 109.002 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.3 m -116.91 142.66 46.65 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.121 1.768 . . . . 0.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.88 -123.77 18.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.975 0.798 . . . . 0.0 113.726 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.3 m -56.31 -30.97 63.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -71.68 -32.45 67.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.44 1.018 . . . . 0.0 112.434 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.21 -41.11 70.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.206 0.603 . . . . 0.0 111.867 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.78 -47.64 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.499 0.72 . . . . 0.0 110.11 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.21 -44.52 92.26 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.344 0.658 . . . . 0.0 111.73 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.74 99.91 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.25 3.8 pp -72.25 -30.98 65.38 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.077 1.308 . . . . 0.0 112.026 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -70.63 -15.22 62.72 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 74.1 mt -94.91 -39.92 9.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.636 1.174 . . . . 0.0 112.778 172.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.4 t -84.13 -35.51 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.984 0.914 . . . . 0.0 112.251 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 124.894 1.278 . . . . 0.0 113.149 175.834 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.4 mm . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.567 0.222 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.4 -46.34 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.569 0.748 . . . . 0.0 112.064 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -67.83 -29.76 68.99 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.041 -1.037 . . . . 0.0 113.288 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -68.7 -27.79 66.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.216 1.007 . . . . 0.0 113.656 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 t -118.41 -18.76 9.1 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -97.44 -51.8 4.02 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.769 1.168 . . . . 0.0 112.803 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 p -90.71 -5.87 55.19 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.276 1.03 . . . . 0.0 113.723 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -139.36 162.47 34.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.083 2.153 . . . . 0.0 110.21 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.84 154.58 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.33 165.59 26.79 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 113.111 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -138.08 169.1 18.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.556 1.942 . . . . 0.0 110.444 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.1 mt -55.25 -36.26 65.87 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 111.535 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -64.89 -31.59 72.9 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -83.99 -35.23 24.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.671 1.188 . . . . 0.0 110.989 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.56 -35.83 81.78 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.623 0.769 . . . . 0.0 111.289 170.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -68.36 -26.39 65.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.938 0.895 . . . . 0.0 113.008 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.44 -24.16 64.7 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.076 -1.015 . . . . 0.0 112.803 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -78.12 -19.88 53.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.195 0.998 . . . . 0.0 113.527 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 112.849 174.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 CA--C 1.545 0.751 0 CA-C-O 120.525 0.202 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -132.1 143.78 50.26 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.929 2.092 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.04 156.94 47.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.508 0.723 . . . . 0.0 112.077 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.2 -131.45 37.78 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.656 1.122 . . . . 0.0 114.077 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -55.99 -32.26 63.78 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.576 1.15 . . . . 0.0 113.753 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.69 -33.28 64.36 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.267 0.94 . . . . 0.0 112.843 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -46.87 73.45 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.182 0.993 . . . . 0.0 109.577 171.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -47.52 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.216 1.007 . . . . 0.0 111.514 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.6 -46.05 87.57 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.41 -0.806 . . . . 0.0 111.989 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -41.94 77.5 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.415 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -56.92 -43.31 81.3 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.409 1.004 . . . . 0.0 112.635 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.03 -34.21 77.5 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.941 0.897 . . . . 0.0 112.693 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 63.6 t -74.12 -36.29 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.658 0.783 . . . . 0.0 112.789 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.325 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.63 -42.08 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 110.471 -176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -78.16 12.46 1.85 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -122.64 -30.23 3.92 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.076 1.75 . . . . 0.0 112.384 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -113.95 -19.98 11.22 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.7 t -97.57 -44.38 6.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.974 1.261 . . . . 0.0 112.077 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.1 p -74.09 -23.72 59.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.483 1.113 . . . . 0.0 113.44 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -148.05 167.57 24.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.458 1.903 . . . . 0.0 110.497 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 pt -61.21 146.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.797 . . . . 0.0 112.941 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -142.97 174.53 10.59 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.949 . . . . 0.0 111.562 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -125.67 157.72 36.57 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.261 1.424 . . . . 0.0 113.034 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -54.24 -36.39 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.105 1.362 . . . . 0.0 111.718 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.18 -18.62 64.65 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -87.89 -31.9 19.24 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.649 1.18 . . . . 0.0 111.702 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.6 -25.63 68.32 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.043 0.838 . . . . 0.0 113.111 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.78 -24.67 62.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 170.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.98 -26.28 65.84 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.054 -1.029 . . . . 0.0 112.802 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -105.77 -8.78 17.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 -171.509 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 120.702 0.287 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 58.9 mt -141.89 138.02 31.78 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.059 2.144 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.73 156.35 45.61 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.558 0.743 . . . . 0.0 112.409 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.03 -134.17 36.47 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.093 0.854 . . . . 0.0 114.006 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.7 m -59.91 -28.16 67.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -70.88 -36.28 72.7 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.455 1.025 . . . . 0.0 111.757 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 46.0 tp -70.46 -39.7 74.11 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.209 1.004 . . . . 0.0 111.883 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.5 -48.32 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.79 0.436 . . . . 0.0 110.602 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.26 -42.57 81.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.618 -0.676 . . . . 0.0 111.337 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.8 84.88 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.75 -31.15 67.87 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.195 1.361 . . . . 0.0 112.016 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.32 -46.54 69.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.01 0.524 . . . . 0.0 111.688 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.04 -40.73 95.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.594 1.158 . . . . 0.0 111.856 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.73 -35.82 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.202 1.001 . . . . 0.0 111.548 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -178.5 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 tt . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.4 -44.51 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.704 0.802 . . . . 0.0 110.988 -173.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -58.46 -22.23 53.98 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.805 1.242 . . . . 0.0 113.146 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -87.93 -22.79 24.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.332 1.453 . . . . 0.0 113.137 -174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.44 -10.04 4.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.68 -37.64 11.73 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.979 1.312 . . . . 0.0 113.794 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 p -99.64 -59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.772 1.229 . . . . 0.0 109.638 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -67.0 151.64 47.27 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.604 1.161 . . . . 0.0 110.93 168.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 pt -68.68 156.0 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.693 0.797 . . . . 0.0 113.009 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.69 150.19 47.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.988 1.315 . . . . 0.0 113.898 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -147.62 156.06 42.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.406 1.882 . . . . 0.0 111.304 -176.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.34 -32.47 62.54 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.786 0.834 . . . . 0.0 112.297 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -65.32 -29.65 70.42 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.366 1.067 . . . . 0.0 113.17 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.02 -44.89 14.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.72 -38.7 85.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.755 1.222 . . . . 0.0 112.816 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -64.98 -26.25 68.22 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.06 -32.23 68.87 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.235 -0.916 . . . . 0.0 112.213 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -72.4 -18.31 61.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.348 -0.845 . . . . 0.0 112.673 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.6 m . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 22.5 tp -149.69 143.38 25.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.491 1.516 . . . . 0.0 112.19 -166.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 33.2 m -131.29 161.85 31.37 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 54.15 -140.19 36.09 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 125.513 1.53 . . . . 0.0 115.573 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.0 m -57.85 -29.23 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.342 1.057 . . . . 0.0 113.397 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.52 -28.85 62.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.321 -0.862 . . . . 0.0 112.834 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.2 -36.08 71.78 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.629 0.772 . . . . 0.0 111.327 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.37 -43.23 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.04 0.536 . . . . 0.0 110.66 170.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.64 -39.24 79.97 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.02 -1.05 . . . . 0.0 111.677 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.06 89.31 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.72 -35.64 77.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.867 1.212 . . . . 0.0 111.452 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.53 -35.71 81.37 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.506 0.722 . . . . 0.0 112.4 170.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.94 -35.19 72.11 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.944 -1.097 . . . . 0.0 112.351 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.37 -37.19 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.731 0.812 . . . . 0.0 112.292 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -172.457 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.9 t -63.45 -45.2 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.963 0.505 . . . . 0.0 110.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.67 -38.88 92.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.926 0.891 . . . . 0.0 112.408 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -61.04 -32.49 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.209 1.004 . . . . 0.0 113.069 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -100.88 -25.6 14.04 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -94.93 -31.39 13.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.427 1.467 . . . . 0.0 114.652 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -111.6 -35.71 5.7 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.102 0.864 . . . . 0.0 112.061 171.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 m -95.11 169.63 9.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.545 1.138 . . . . 0.0 110.493 167.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -87.14 152.68 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.725 -0.61 . . . . 0.0 110.513 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -131.33 -169.89 2.27 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.74 1.216 . . . . 0.0 112.427 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -133.75 156.01 48.74 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.98 1.712 . . . . 0.0 111.197 -173.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.67 -35.26 74.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.834 -0.541 . . . . 0.0 110.76 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.49 -35.67 80.08 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.185 -0.947 . . . . 0.0 112.573 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -74.84 -40.92 60.75 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.394 -0.816 . . . . 0.0 111.101 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.9 -34.46 74.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.07 0.948 . . . . 0.0 111.915 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.04 -40.92 87.29 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.198 -0.939 . . . . 0.0 112.227 170.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -71.02 -19.63 62.49 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.34 -16.59 62.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.701 1.137 . . . . 0.0 113.084 170.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 124.338 1.055 . . . . 0.0 112.472 175.32 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 2.7 p80 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.5 mt -147.11 147.44 30.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.323 2.249 . . . . 0.0 110.739 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 83.5 m -129.91 153.05 48.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.011 1.324 . . . . 0.0 111.875 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.06 -130.32 28.13 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.818 1.199 . . . . 0.0 114.761 169.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -56.96 -30.05 63.74 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -75.85 -31.53 59.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.202 0.91 . . . . 0.0 112.848 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -45.26 78.43 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 109.552 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.07 -45.55 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.691 0.797 . . . . 0.0 111.384 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.95 -45.34 86.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.217 -0.927 . . . . 0.0 111.278 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.32 83.54 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -36.12 77.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.515 1.052 . . . . 0.0 111.137 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -68.36 -42.41 79.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.813 0.445 . . . . 0.0 112.156 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.2 -44.55 88.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.481 1.112 . . . . 0.0 112.259 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.66 -31.78 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.818 0.735 . . . . 0.0 111.059 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.556 1.189 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.109 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.5 mm . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -72.74 -56.92 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.602 0.361 . . . . 0.0 111.661 -169.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -35.18 77.05 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.41 -0.806 . . . . 0.0 112.839 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.34 -26.91 66.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 113.056 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.9 t -106.24 -23.95 12.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.899 1.279 . . . . 0.0 113.777 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -101.82 -28.52 12.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -169.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -116.83 -36.91 3.74 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.999 0.818 . . . . 0.0 112.168 170.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -84.31 156.92 21.7 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.642 -0.661 . . . . 0.0 109.3 166.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.14 139.77 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-O 123.075 1.417 . . . . 0.0 113.077 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -105.55 152.19 23.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 127.117 2.167 . . . . 0.0 111.387 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.6 p -148.38 163.62 36.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.845 1.258 . . . . 0.0 111.566 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.84 -35.15 75.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 122.023 -0.423 . . . . 0.0 111.953 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -62.69 -36.96 84.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.655 -0.653 . . . . 0.0 112.306 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -76.37 -44.09 37.91 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.667 -0.646 . . . . 0.0 110.904 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.65 -34.0 73.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.998 0.919 . . . . 0.0 112.104 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.12 -42.35 72.75 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.07 -1.019 . . . . 0.0 112.014 171.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.92 -31.24 72.38 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.42 -0.8 . . . . 0.0 113.15 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.92 -28.11 69.3 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.324 0.965 . . . . 0.0 112.733 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 124.419 1.088 . . . . 0.0 112.609 173.569 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.38 152.64 45.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.141 1.776 . . . . 0.0 110.247 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.01 43.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.419 1.087 . . . . 0.0 111.745 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.09 -133.69 37.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.63 1.109 . . . . 0.0 114.861 169.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -61.39 -28.22 69.08 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -72.77 -36.61 67.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.196 0.907 . . . . 0.0 111.645 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.5 -48.34 79.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.534 1.134 . . . . 0.0 110.202 170.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.75 -45.0 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.44 0.696 . . . . 0.0 111.515 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.341 0.973 . . . . 0.0 111.866 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.13 -45.57 84.54 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.564 -0.71 . . . . 0.0 111.838 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -32.56 74.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.269 -0.895 . . . . 0.0 111.714 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -46.83 87.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.378 1.071 . . . . 0.0 111.7 173.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.12 -37.7 57.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.347 1.059 . . . . 0.0 112.318 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.98 -27.37 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.545 0.738 . . . . 0.0 111.525 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 174.715 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 110.289 -0.264 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.88 -46.15 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.188 0.595 . . . . 0.0 112.489 -169.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -60.01 -34.31 73.17 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.896 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -60.07 -30.72 69.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.346 1.058 . . . . 0.0 113.059 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -107.32 -17.87 14.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.85 -37.45 9.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -172.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.5 p -106.08 -36.9 6.79 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.238 1.015 . . . . 0.0 111.212 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 m -94.88 178.75 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.773 1.629 . . . . 0.0 109.576 166.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -107.58 159.05 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.105 -0.997 . . . . 0.0 113.475 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 m -137.56 154.57 49.78 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.375 1.47 . . . . 0.0 112.566 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -121.87 177.63 5.21 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.373 1.469 . . . . 0.0 111.042 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.78 -28.78 66.27 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.685 1.194 . . . . 0.0 111.89 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.01 -41.03 82.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.175 0.99 . . . . 0.0 112.543 172.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.7 -39.48 36.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.728 -0.608 . . . . 0.0 111.44 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.37 -19.87 66.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.619 0.768 . . . . 0.0 112.657 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -97.16 -2.42 43.01 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -87.4 -35.88 18.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.778 -1.201 . . . . 0.0 111.551 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -67.35 -23.84 65.65 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 170.63 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 69.0 mt -138.96 131.42 28.64 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.577 2.351 . . . . 0.0 109.559 171.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 73.9 m -129.16 143.96 51.04 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.698 1.199 . . . . 0.0 111.544 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.26 -127.23 25.17 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.706 1.146 . . . . 0.0 113.985 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 22.2 m -57.59 -28.03 63.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.668 1.187 . . . . 0.0 114.182 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -70.37 -36.36 74.09 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.004 0.82 . . . . 0.0 111.623 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.18 -43.42 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.346 1.059 . . . . 0.0 110.608 174.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.7 t -63.24 -43.9 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.586 -0.696 . . . . 0.0 111.631 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.92 -44.48 97.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.56 92.14 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -34.15 72.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.383 0.992 . . . . 0.0 111.391 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -37.15 78.77 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.99 -34.26 76.2 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.374 0.988 . . . . 0.0 112.407 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -79.05 -44.24 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.151 0.981 . . . . 0.0 112.271 177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 9.8 t . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.012 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.11 -41.11 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.207 1.403 . . . . 0.0 112.096 -174.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.47 -30.43 53.0 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.208 1.403 . . . . 0.0 113.689 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.41 -23.25 65.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.812 1.245 . . . . 0.0 113.138 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.19 -10.15 5.87 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 172.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 t -89.84 -33.77 16.36 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.5 1.045 . . . . 0.0 113.391 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.6 p -113.48 -34.31 5.62 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.475 1.11 . . . . 0.0 111.622 173.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -97.66 -171.95 2.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.593 1.557 . . . . 0.0 109.725 166.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.59 153.2 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.303 1.041 . . . . 0.0 112.2 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.26 172.08 8.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.8 1.64 . . . . 0.0 112.683 -171.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 t -146.07 171.93 14.16 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.424 1.49 . . . . 0.0 110.681 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.5 mt -51.65 -37.23 49.43 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.522 1.529 . . . . 0.0 111.996 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -68.28 -14.29 62.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.29 1.436 . . . . 0.0 114.001 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -110.66 -37.42 5.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.454 1.502 . . . . 0.0 112.227 173.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.3 -30.69 68.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.675 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.02 -30.31 68.66 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.291 -0.881 . . . . 0.0 112.925 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -81.58 -29.49 33.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.317 1.047 . . . . 0.0 113.049 -174.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -68.34 -9.86 50.88 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.2 m . . . . . 0 CA--C 1.545 0.756 0 C-N-CA 124.833 1.253 . . . . 0.0 112.787 169.555 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.9 mt -133.9 134.38 42.6 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.039 2.136 . . . . 0.0 108.965 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.6 t -137.19 154.27 50.24 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -173.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.74 -132.03 49.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.638 1.113 . . . . 0.0 113.074 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -55.59 -31.36 62.16 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.315 1.046 . . . . 0.0 113.657 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.44 -31.43 65.45 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.391 0.996 . . . . 0.0 112.867 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.29 -40.51 58.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.406 1.082 . . . . 0.0 110.84 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.39 -43.52 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.145 0.578 . . . . 0.0 110.531 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.95 -40.37 95.32 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.175 -0.953 . . . . 0.0 111.534 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.01 0.823 . . . . 0.0 112.895 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.46 -39.44 85.34 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.648 1.113 . . . . 0.0 111.345 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -62.44 -40.29 96.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.14 -37.29 83.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.064 -1.022 . . . . 0.0 112.525 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.17 -44.74 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.239 0.616 . . . . 0.0 112.389 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.793 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.348 9.3 tp . . . . . 0 N--CA 1.484 1.238 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.71 -39.48 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.32 -1.488 . . . . 0.0 111.943 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -69.16 -7.64 38.14 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -85.73 -26.42 25.88 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.278 -0.889 . . . . 0.0 112.799 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -134.06 -18.95 2.02 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -169.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -90.59 -43.43 10.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.847 1.203 . . . . 0.0 112.297 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -77.71 -27.68 50.72 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -142.88 154.71 44.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.716 2.006 . . . . 0.0 110.65 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.78 150.1 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.883 0.873 . . . . 0.0 113.072 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -145.42 170.45 16.33 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.063 0.945 . . . . 0.0 112.317 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 m -126.04 155.93 40.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.648 1.179 . . . . 0.0 112.533 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.74 -36.11 71.62 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.648 -0.658 . . . . 0.0 112.589 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.72 -32.35 67.32 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.656 1.182 . . . . 0.0 113.393 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -84.78 -34.75 22.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.252 1.021 . . . . 0.0 111.857 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.85 -26.76 67.06 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 112.339 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.12 -22.36 50.55 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.007 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.76 -23.79 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.891 -1.13 . . . . 0.0 113.322 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -108.22 1.98 22.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.115 1.366 . . . . 0.0 113.512 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 p . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 124.51 1.124 . . . . 0.0 113.327 -179.207 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.29 132.55 54.05 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.569 1.147 . . . . 0.0 109.592 172.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -142.2 149.24 39.42 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.979 0.911 . . . . 0.0 111.847 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.01 -131.35 36.98 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.156 0.884 . . . . 0.0 113.617 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.0 m -55.76 -30.05 60.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.84 1.256 . . . . 0.0 113.747 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -74.73 -28.45 60.79 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.33 0.968 . . . . 0.0 112.888 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.24 -45.72 65.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.929 1.292 . . . . 0.0 109.666 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -45.7 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.446 0.698 . . . . 0.0 110.752 173.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.1 -45.35 91.1 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.089 -1.007 . . . . 0.0 111.75 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.69 82.45 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.195 0.907 . . . . 0.0 113.37 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.59 -32.39 62.35 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.366 0.984 . . . . 0.0 112.085 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.54 -44.8 93.12 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.107 -0.996 . . . . 0.0 110.775 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.87 -37.46 79.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.741 1.616 . . . . 0.0 112.919 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.9 -29.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.676 1.125 . . . . 0.0 111.576 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.556 1.18 0 C-N-CA 124.058 0.943 . . . . 0.0 113.366 168.088 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.7 mm . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.43 -43.9 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.074 0.55 . . . . 0.0 111.295 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.5 -41.3 63.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.278 1.431 . . . . 0.0 112.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -66.14 -29.66 70.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.97 -15.38 16.14 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -87.96 -32.69 18.75 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.225 -0.922 . . . . 0.0 112.955 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -93.4 -19.8 20.95 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -151.57 169.04 23.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.102 1.761 . . . . 0.0 110.395 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -64.89 153.02 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 121.311 -0.868 . . . . 0.0 112.803 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -137.31 170.89 15.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.163 0.985 . . . . 0.0 113.133 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.5 p -117.33 168.36 10.41 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.617 1.967 . . . . 0.0 113.077 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -54.62 -39.97 68.46 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.532 -0.73 . . . . 0.0 111.673 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.82 -23.01 65.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.774 0.83 . . . . 0.0 112.972 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -85.41 -36.67 20.53 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.62 0.768 . . . . 0.0 111.27 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.87 -33.7 74.67 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.645 -0.659 . . . . 0.0 111.157 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.85 -4.42 27.93 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.427 1.491 . . . . 0.0 114.825 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -110.59 -24.72 10.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.862 1.265 . . . . 0.0 113.509 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -71.99 -22.74 61.38 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 176.617 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 120.679 0.276 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.65 143.37 28.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.287 1.835 . . . . 0.0 110.029 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.62 156.82 46.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.395 0.678 . . . . 0.0 112.045 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.09 -134.79 47.95 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.061 0.839 . . . . 0.0 114.115 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.9 p -56.53 -31.93 64.62 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.66 -35.7 70.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.226 0.921 . . . . 0.0 111.86 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.9 -40.78 71.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.06 0.944 . . . . 0.0 112.047 173.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.8 -47.42 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.813 0.845 . . . . 0.0 110.426 173.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.45 -41.14 98.53 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.275 -0.891 . . . . 0.0 111.662 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.91 95.42 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.252 3.9 pp -73.65 -30.3 62.85 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.942 1.246 . . . . 0.0 112.451 174.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.05 -29.18 68.9 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.348 0.977 . . . . 0.0 113.291 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.51 -40.61 22.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.145 0.978 . . . . 0.0 112.802 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 97.0 t -88.72 -33.16 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.857 0.863 . . . . 0.0 112.639 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 125.001 1.32 . . . . 0.0 113.536 178.361 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.408 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mt -104.76 -35.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.628 1.971 . . . . 0.0 112.086 -170.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.4 -42.37 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 O-C-N 121.516 -0.74 . . . . 0.0 111.044 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.11 -34.07 71.59 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -67.73 -13.27 61.97 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.266 1.027 . . . . 0.0 113.754 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.1 t -117.84 -18.66 9.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.402 1.081 . . . . 0.0 113.818 167.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.98 -51.71 5.67 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.045 -1.034 . . . . 0.0 112.888 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.8 p -88.89 -18.23 27.98 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 121.232 -0.918 . . . . 0.0 113.204 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.3 m -136.18 151.78 50.1 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.906 2.082 . . . . 0.0 109.847 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.5 pt -63.53 150.25 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 p -129.47 163.21 26.37 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.5 p -104.43 171.61 7.24 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.589 1.956 . . . . 0.0 113.834 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.5 mt -58.08 -37.63 74.85 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.363 -0.836 . . . . 0.0 111.617 169.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -66.75 -26.03 66.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.625 0.77 . . . . 0.0 112.692 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -80.54 -41.01 24.91 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.646 0.779 . . . . 0.0 110.848 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.57 -31.49 72.31 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.871 0.868 . . . . 0.0 111.818 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.16 -46.29 77.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.066 -1.021 . . . . 0.0 111.453 168.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -63.67 -36.77 84.94 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.62 -0.675 . . . . 0.0 112.747 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -66.03 -17.09 64.46 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 t -81.79 -28.1 33.36 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.148 0.979 . . . . 0.0 112.586 171.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -89.23 -33.41 17.0 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.085 1.354 . . . . 0.0 113.402 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.32 0 C-N-CA 125.406 1.479 . . . . 0.0 114.41 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 93.6 t80 . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.748 0.308 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 12.4 p -144.74 147.72 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.873 1.669 . . . . 0.0 109.669 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -62.51 143.5 57.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.417 0.687 . . . . 0.0 111.217 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -140.23 159.32 42.46 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -169.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -82.07 133.02 35.26 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.818 0.847 . . . . 0.0 111.24 171.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 60.4 mt -144.45 134.58 24.16 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.896 1.678 . . . . 0.0 110.289 174.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 82.9 m -127.37 150.08 49.78 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.534 1.134 . . . . 0.0 111.689 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.48 -126.63 28.61 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.701 1.143 . . . . 0.0 114.364 169.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.8 m -58.74 -28.68 66.1 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.44 1.096 . . . . 0.0 113.61 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -75.08 -35.18 61.82 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.258 0.935 . . . . 0.0 111.852 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.92 -41.71 86.6 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.177 0.991 . . . . 0.0 110.897 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 86.5 t -61.4 -50.97 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.044 0.537 . . . . 0.0 111.129 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.71 -43.28 90.05 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.307 0.958 . . . . 0.0 111.837 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.28 87.85 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.07 -36.92 84.49 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.602 1.092 . . . . 0.0 111.182 177.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.42 -44.14 88.35 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.609 0.764 . . . . 0.0 111.279 177.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -41.03 78.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.852 0.861 . . . . 0.0 112.434 177.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.12 -32.28 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.453 0.701 . . . . 0.0 111.269 175.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t -82.21 5.43 19.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.776 1.23 . . . . 0.0 114.021 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.39 -126.63 42.79 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.792 1.187 . . . . 0.0 114.26 171.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.59 -8.23 56.26 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.833 1.419 . . . . 0.0 114.833 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -85.34 -76.63 0.32 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.949 1.3 . . . . 0.0 111.699 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 53.12 -149.95 11.13 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 123.595 0.617 . . . . 0.0 113.794 -172.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -88.44 135.55 33.42 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.819 0.848 . . . . 0.0 111.711 170.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -76.16 -20.02 57.94 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 172.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -111.84 169.81 8.58 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.655 1.982 . . . . 0.0 111.663 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 17.6 p -61.69 138.53 95.25 Favored Pre-proline 0 N--CA 1.474 0.774 0 O-C-N 121.462 -0.774 . . . . 0.0 111.533 172.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -77.03 153.74 32.63 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.001 2.467 . . . . 0.0 113.169 -172.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -147.62 137.96 23.1 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.936 1.694 . . . . 0.0 110.503 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 17.2 p -64.42 136.08 56.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.212 1.405 . . . . 0.0 111.863 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 . . . . . 0 C--O 1.248 1.014 0 C-N-CA 125.281 1.432 . . . . 0.0 112.414 -173.863 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.4 tt -143.57 -60.42 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.941 1.696 . . . . 0.0 110.467 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.27 -43.24 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 O-C-N 121.189 -0.945 . . . . 0.0 109.455 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.41 18.97 0.27 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.14 1.376 . . . . 0.0 114.203 174.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -125.86 -53.26 1.54 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.31 1.844 . . . . 0.0 111.169 169.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.22 -9.96 43.38 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 -176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.3 t -102.52 -32.49 9.91 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.496 1.043 . . . . 0.0 112.457 172.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 p -78.08 -26.67 48.29 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.123 1.369 . . . . 0.0 113.135 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -136.07 175.16 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.622 1.969 . . . . 0.0 110.304 172.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.26 142.52 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-O 122.436 1.113 . . . . 0.0 112.429 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -94.48 163.24 13.49 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.225 1.41 . . . . 0.0 112.131 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.4 t -149.91 154.33 38.13 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.98 1.712 . . . . 0.0 110.19 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.11 -37.45 34.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.974 0.91 . . . . 0.0 112.32 169.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -66.47 -29.36 69.46 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.274 1.03 . . . . 0.0 113.079 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -82.25 -39.91 22.35 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.122 0.969 . . . . 0.0 110.798 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.94 -38.71 91.86 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.725 1.21 . . . . 0.0 112.457 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.77 -28.27 68.9 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 175.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -63.69 -33.09 74.86 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.414 -0.804 . . . . 0.0 112.142 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -71.12 -21.55 62.19 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.515 0.726 . . . . 0.0 112.737 177.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.2 m -87.92 -2.39 58.58 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.226 1.41 . . . . 0.0 113.084 168.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.9 t30 54.79 38.48 30.27 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.503 1.921 . . . . 0.0 113.328 -167.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 C-N-CA 125.328 1.442 . . . . 0.0 114.014 177.582 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.0 t80 . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 11.3 p -140.26 138.38 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.004 1.322 . . . . 0.0 110.792 172.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -70.05 108.0 3.88 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.296 1.038 . . . . 0.0 111.529 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -144.29 160.1 41.57 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.936 1.694 . . . . 0.0 111.171 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -75.47 132.88 41.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.273 0.629 . . . . 0.0 110.363 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 94.0 mt -134.49 134.63 41.7 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.782 1.633 . . . . 0.0 110.526 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.76 154.55 47.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.71 1.204 . . . . 0.0 111.758 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 47.48 -125.46 10.8 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.267 1.413 . . . . 0.0 114.942 168.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 10.1 t -57.45 -37.17 72.4 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.435 1.094 . . . . 0.0 113.096 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -69.86 -33.82 72.77 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.33 -0.856 . . . . 0.0 112.248 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 42.8 tp -70.83 -39.14 73.17 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.15 0.98 . . . . 0.0 111.391 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.2 -46.21 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.239 0.616 . . . . 0.0 110.899 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.67 -42.95 99.62 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.376 -0.828 . . . . 0.0 111.672 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.32 93.75 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.517 -0.739 . . . . 0.0 112.979 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -28.95 61.57 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.661 0.664 . . . . 0.0 112.12 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -44.7 86.55 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.196 -0.94 . . . . 0.0 111.084 169.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.48 -36.73 81.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.252 1.021 . . . . 0.0 113.243 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -72.3 -34.47 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.451 1.023 . . . . 0.0 112.409 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 79.4 m -92.08 -26.89 18.09 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 53.51 -128.11 38.37 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.018 1.294 . . . . 0.0 114.338 170.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.6 -12.3 43.99 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -70.78 -20.1 62.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.449 1.099 . . . . 0.0 112.289 171.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.25 150.46 15.91 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 125.507 1.527 . . . . 0.0 112.373 -171.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.67 -18.6 29.2 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 -172.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -69.18 154.64 41.72 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.419 -0.801 . . . . 0.0 112.349 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.03 105.33 2.0 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.773 0.829 . . . . 0.0 109.937 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 41.7 p -73.49 139.21 77.93 Favored Pre-proline 0 N--CA 1.474 0.751 0 O-C-N 121.446 -0.784 . . . . 0.0 112.63 -171.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -75.41 -25.53 11.15 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.029 2.486 . . . . 0.0 112.728 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.74 141.4 25.58 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.098 2.159 . . . . 0.0 109.945 176.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 2.9 t -96.21 169.53 9.88 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.427 1.091 . . . . 0.0 112.854 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 127.267 2.227 . . . . 0.0 113.433 -177.476 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.0 -40.3 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.882 1.273 . . . . 0.0 113.634 -172.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -65.56 -42.13 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.239 0.615 . . . . 0.0 110.468 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.57 20.18 0.33 Allowed 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.005 -1.059 . . . . 0.0 113.615 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -122.27 -46.43 2.18 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.952 1.701 . . . . 0.0 111.168 168.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.13 -14.28 27.41 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.3 t -91.32 -16.88 26.79 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.006 0.922 . . . . 0.0 112.059 171.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -102.86 -39.89 6.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.752 2.021 . . . . 0.0 112.794 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -118.09 168.54 10.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.035 2.134 . . . . 0.0 109.747 169.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -76.58 153.57 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 120.716 -1.24 . . . . 0.0 111.176 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 36.3 m -136.24 155.25 50.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.274 1.03 . . . . 0.0 112.651 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.3 m -121.57 151.75 40.01 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.939 1.696 . . . . 0.0 111.309 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.3 mt -55.78 -36.61 67.55 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -65.87 -16.54 63.94 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -90.57 -24.88 20.45 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.248 1.819 . . . . 0.0 111.329 174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.8 mt -81.68 -31.13 32.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.362 1.065 . . . . 0.0 112.969 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -61.38 -18.17 57.51 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -56.82 -33.56 66.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.663 1.185 . . . . 0.0 112.73 169.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -5.87 59.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.619 1.168 . . . . 0.0 113.989 -175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 81.1 m -71.85 -12.21 61.17 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.7 t30 53.84 48.85 20.41 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.086 1.754 . . . . 0.0 112.609 -174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 C-N-CA 125.433 1.492 . . . . 0.0 112.493 -171.678 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.315 0.102 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 20.9 m -71.37 145.49 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.886 0.874 . . . . 0.0 113.079 -177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -85.35 65.6 9.28 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.676 1.19 . . . . 0.0 109.993 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -136.48 161.89 34.59 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.103 1.361 . . . . 0.0 112.773 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -78.33 156.24 29.7 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.838 1.255 . . . . 0.0 112.666 174.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 86.1 mt -136.74 125.86 24.55 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.399 1.88 . . . . 0.0 109.439 171.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.4 m -125.83 143.17 51.18 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.041 1.336 . . . . 0.0 110.931 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.01 -125.69 20.3 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.354 0.978 . . . . 0.0 114.023 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 20.9 m -59.13 -29.37 67.36 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -71.32 -35.16 71.14 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.37 0.987 . . . . 0.0 111.661 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.09 -45.25 74.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.183 1.393 . . . . 0.0 110.666 174.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.42 -43.35 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 111.059 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -61.04 -41.52 96.74 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 120.989 -1.07 . . . . 0.0 111.911 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.84 84.77 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -28.75 65.33 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.152 0.887 . . . . 0.0 112.156 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -66.3 -49.12 68.14 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.242 -0.911 . . . . 0.0 111.274 168.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.01 -40.33 97.43 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.246 1.019 . . . . 0.0 112.976 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 11.6 p -67.81 -29.42 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 CA-C-N 119.219 0.918 . . . . 0.0 112.512 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 91.3 m -93.53 10.49 32.29 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.425 1.09 . . . . 0.0 113.777 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.15 -117.45 4.92 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.635 1.588 . . . . 0.0 113.014 175.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -81.79 -24.73 35.78 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -134.94 142.89 46.62 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 125.996 1.718 . . . . 0.0 111.53 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -91.51 -90.28 1.4 Allowed Glycine 0 N--CA 1.464 0.563 0 C-N-CA 124.732 1.158 . . . . 0.0 110.506 170.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -56.5 171.34 0.31 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.18 1.392 . . . . 0.0 112.722 169.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -66.26 -8.16 23.04 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -69.18 175.5 3.82 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.642 1.577 . . . . 0.0 112.913 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 7.2 m -53.47 138.47 49.93 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 126.241 1.816 . . . . 0.0 113.288 -173.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -52.28 139.56 53.91 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.655 2.904 . . . . 0.0 112.973 170.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 48.35 20.11 0.26 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.324 1.85 . . . . 0.0 115.004 -171.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 1.8 m 62.41 0.55 0.62 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 127.745 2.418 . . . . 0.0 115.473 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.111 1.764 . . . . 0.0 112.512 -174.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 86.2 mt -73.81 -38.45 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.836 1.254 . . . . 0.0 111.674 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.2 -42.98 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.146 0.578 . . . . 0.0 112.053 -173.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.95 -35.08 68.68 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.66 0.784 . . . . 0.0 112.891 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -63.01 -29.48 70.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.943 0.897 . . . . 0.0 113.179 -173.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -112.66 -19.83 11.91 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 t -92.52 -37.71 12.35 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.192 1.36 . . . . 0.0 113.858 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.1 p -107.92 -31.64 7.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.342 1.057 . . . . 0.0 111.992 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -98.36 161.31 13.75 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.561 1.544 . . . . 0.0 109.952 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -88.58 155.18 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.145 -0.972 . . . . 0.0 110.78 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.5 p -145.07 164.4 31.33 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -174.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.1 m -118.44 161.92 19.19 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.899 2.08 . . . . 0.0 113.114 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.0 mt -54.69 -38.26 66.81 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.094 0.957 . . . . 0.0 112.857 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -70.82 -17.11 62.76 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -86.57 -37.1 18.48 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.027 0.931 . . . . 0.0 110.886 169.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.99 -34.63 78.44 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.412 0.685 . . . . 0.0 111.495 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.16 -29.19 67.26 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -68.89 -35.28 76.67 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.197 -0.939 . . . . 0.0 112.179 -176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -70.22 -18.83 63.18 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.643 1.177 . . . . 0.0 112.766 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 p -115.74 20.04 14.85 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.109 2.164 . . . . 0.0 112.901 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.8 t30 54.9 29.71 12.6 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 126.67 1.988 . . . . 0.0 115.468 170.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 C-N-CA 126.374 1.94 . . . . 0.0 115.072 175.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 119.344 -0.36 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 45.7 t 64.53 139.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.931 2.093 . . . . 0.0 112.395 -167.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . 0.267 0.5 OUTLIER 49.65 19.91 0.45 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.542 2.337 . . . . 0.0 117.158 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -152.17 156.13 39.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.673 1.989 . . . . 0.0 110.355 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -103.07 157.51 16.94 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.304 1.442 . . . . 0.0 113.839 -171.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 73.4 mt -137.24 134.25 35.99 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.026 2.13 . . . . 0.0 108.722 169.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.0 t -140.06 152.8 46.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.275 0.63 . . . . 0.0 112.171 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.86 -130.75 36.05 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.11 0.862 . . . . 0.0 112.836 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 16.5 m -56.67 -28.36 60.57 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -73.56 -33.71 64.81 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.598 1.09 . . . . 0.0 112.117 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tt -68.2 -44.33 76.04 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.242 1.017 . . . . 0.0 109.889 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.28 -44.84 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.446 0.698 . . . . 0.0 111.151 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.29 -46.21 86.5 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.166 -0.959 . . . . 0.0 111.554 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.04 90.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.95 -35.91 67.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.098 0.863 . . . . 0.0 111.591 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -65.82 -40.18 91.59 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.209 -0.932 . . . . 0.0 111.582 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 47.2 mt -67.87 -42.73 80.81 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.594 0.633 . . . . 0.0 112.486 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 p -69.84 -31.4 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.254 0.933 . . . . 0.0 112.132 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 27.8 m -88.27 -0.21 56.87 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.47 -101.52 0.29 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.003 1.287 . . . . 0.0 113.71 173.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -76.16 -18.87 58.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.735 1.214 . . . . 0.0 113.65 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -94.95 139.54 31.2 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.197 1.399 . . . . 0.0 112.532 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -110.06 -155.49 15.25 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 126.119 1.819 . . . . 0.0 112.734 173.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -57.76 134.85 56.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 117.86 0.83 . . . . 0.0 111.728 170.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -86.45 -30.17 22.26 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.449 0.7 . . . . 0.0 112.678 171.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 60.22 -28.62 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 128.77 2.828 . . . . 0.0 115.735 -171.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 37.7 p -76.36 164.78 57.67 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 126.412 1.885 . . . . 0.0 112.241 169.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -59.3 159.05 24.13 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.276 2.651 . . . . 0.0 114.778 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -56.47 135.34 54.34 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.259 1.823 . . . . 0.0 111.947 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 79.3 p -129.12 -12.66 4.59 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.861 1.264 . . . . 0.0 114.017 171.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 . . . . . 0 C--O 1.25 1.093 0 C-N-CA 125.551 1.54 . . . . 0.0 111.053 170.461 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 112.149 -0.38 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.6 mt -89.1 -46.28 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 124.434 1.094 . . . . 0.0 112.274 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.29 -41.38 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -169.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -58.5 -28.89 65.81 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -67.86 -31.43 71.24 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.585 -0.697 . . . . 0.0 111.988 -177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.99 -24.22 10.49 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.7 t -90.84 -49.42 6.46 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.345 0.975 . . . . 0.0 113.092 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.8 p -94.5 -37.99 11.13 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.837 0.855 . . . . 0.0 111.727 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.1 t -95.16 -174.92 3.36 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.155 1.382 . . . . 0.0 110.068 167.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.15 153.4 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.474 1.11 . . . . 0.0 111.886 170.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.6 p -137.12 157.79 45.91 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.972 0.909 . . . . 0.0 113.222 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -103.73 161.86 13.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.26 1.824 . . . . 0.0 112.941 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 mt -55.82 -37.73 69.06 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.083 0.953 . . . . 0.0 112.384 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -72.0 -17.8 62.02 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -85.99 -38.82 17.52 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.068 0.947 . . . . 0.0 111.012 171.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.2 mt -60.36 -34.39 73.79 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.769 0.828 . . . . 0.0 111.507 170.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.37 -30.93 71.54 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.308 1.043 . . . . 0.0 113.232 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.48 -27.52 61.44 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 120.708 -1.245 . . . . 0.0 112.06 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.22 -15.79 61.94 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.241 -0.912 . . . . 0.0 112.747 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.2 m -76.06 -14.3 60.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.865 1.666 . . . . 0.0 113.639 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -81.08 43.2 0.69 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 126.232 1.813 . . . . 0.0 113.154 -170.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 126.45 1.976 . . . . 0.0 113.132 -176.608 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 38.3 p90 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.59 0.233 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.68 147.89 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.92 1.688 . . . . 0.0 109.372 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -86.29 153.79 21.72 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.673 1.189 . . . . 0.0 112.996 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -141.17 163.7 32.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.062 1.745 . . . . 0.0 110.757 173.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -75.49 137.02 40.63 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.07 0.462 . . . . 0.0 110.854 168.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 21.9 mt -140.58 125.77 18.61 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.504 1.922 . . . . 0.0 108.705 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.3 t -138.15 147.33 43.78 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.639 0.776 . . . . 0.0 111.502 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.65 -123.93 24.9 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 123.998 0.808 . . . . 0.0 113.068 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 24.9 p -56.71 -29.33 62.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -75.25 -32.13 61.0 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.452 1.024 . . . . 0.0 111.812 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.33 -43.14 70.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.749 1.219 . . . . 0.0 110.135 172.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.3 -47.54 93.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.341 0.657 . . . . 0.0 110.979 173.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.14 -40.13 84.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.02 -1.05 . . . . 0.0 111.994 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.65 82.77 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.59 -29.84 65.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.956 1.253 . . . . 0.0 111.648 174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.99 -36.41 79.98 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.091 -1.006 . . . . 0.0 112.119 168.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 53.0 mt -68.36 -32.9 73.31 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.727 -1.233 . . . . 0.0 112.101 173.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 79.6 t -74.96 -40.83 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.624 0.77 . . . . 0.0 112.401 173.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 70.1 m -108.2 18.56 20.97 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 -170.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 61.26 -147.62 47.26 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.301 1.429 . . . . 0.0 114.772 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.74 -16.63 58.51 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 -175.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 -80.74 -53.39 6.55 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.918 1.287 . . . . 0.0 112.957 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 65.04 -103.84 0.85 Allowed Glycine 0 CA--C 1.531 1.073 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 -168.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -66.59 179.35 1.06 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.111 0.964 . . . . 0.0 112.51 168.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . 0.32 51.4 p90 50.29 47.63 23.48 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.17 1.788 . . . . 0.0 115.158 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 68.81 157.72 0.15 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.661 2.785 . . . . 0.0 116.17 169.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -53.1 144.52 28.02 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 127.122 2.169 . . . . 0.0 113.22 -175.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -60.09 -23.18 72.52 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 123.313 2.675 . . . . 0.0 116.535 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.08 137.17 58.17 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.337 1.055 . . . . 0.0 112.011 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 7.9 t -139.25 173.73 11.25 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.971 1.708 . . . . 0.0 111.553 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.197 0 C-N-CA 125.817 1.647 . . . . 0.0 113.096 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 CA-C-O 121.181 0.323 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.9 mt -56.7 -47.05 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 125.76 1.624 . . . . 0.0 113.196 -170.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -67.61 -45.03 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.298 0.499 . . . . 0.0 110.431 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.68 -41.51 86.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.28 1.032 . . . . 0.0 111.85 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -61.53 -20.49 63.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.339 1.455 . . . . 0.0 113.805 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 t -113.09 -3.53 13.96 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 170.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -106.92 -46.69 3.88 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.61 1.095 . . . . 0.0 113.495 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.7 t -94.48 -33.53 13.05 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.935 0.788 . . . . 0.0 111.704 173.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 p -111.47 172.62 6.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.556 1.942 . . . . 0.0 110.345 168.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 pt -93.64 151.11 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.048 0.939 . . . . 0.0 113.037 -171.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -142.22 169.86 16.8 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.239 1.016 . . . . 0.0 112.003 169.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 p -129.38 -179.3 5.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.027 1.731 . . . . 0.0 112.539 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.5 mt -53.12 -33.51 52.64 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.296 1.038 . . . . 0.0 112.637 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -71.08 -17.65 62.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.458 1.103 . . . . 0.0 113.415 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -94.48 -35.95 12.08 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.034 0.933 . . . . 0.0 111.676 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.83 -31.75 72.88 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.372 -0.83 . . . . 0.0 112.013 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -77.44 -5.82 51.21 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 168.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -95.57 -45.34 7.1 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.131 -0.981 . . . . 0.0 111.819 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.27 -26.84 68.67 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.6 p -70.31 -16.77 63.04 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.2 t30 50.92 48.72 22.49 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.286 1.834 . . . . 0.0 114.112 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 C-N-CA 125.237 1.398 . . . . 0.0 112.989 179.165 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 39.9 p90 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 25.6 m -138.99 163.58 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 126.26 1.824 . . . . 0.0 111.203 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 52.01 49.59 20.36 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.424 1.49 . . . . 0.0 113.705 174.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -139.6 155.87 47.2 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.073 1.349 . . . . 0.0 111.335 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -123.45 147.65 46.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.461 1.505 . . . . 0.0 112.708 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 78.1 mt -142.99 144.06 32.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.716 2.006 . . . . 0.0 110.344 169.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 70.8 m -128.67 153.91 46.82 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.525 1.13 . . . . 0.0 112.769 -170.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.78 -132.02 36.05 Favored Glycine 0 N--CA 1.474 1.178 0 C-N-CA 124.971 1.272 . . . . 0.0 114.529 169.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.8 m -57.69 -29.28 64.55 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.209 1.004 . . . . 0.0 113.417 177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.6 -28.41 60.89 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.298 -0.877 . . . . 0.0 112.868 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.92 -43.68 71.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.426 0.69 . . . . 0.0 109.99 170.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.07 -44.09 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.273 0.629 . . . . 0.0 111.455 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.14 -33.98 74.28 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.81 0.844 . . . . 0.0 112.114 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.38 88.66 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.292 -0.88 . . . . 0.0 112.395 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.25 -48.32 80.79 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 119.629 1.104 . . . . 0.0 109.572 169.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -67.35 -8.96 36.63 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 83.6 mt -107.53 -35.36 6.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.029 1.332 . . . . 0.0 113.433 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 95.3 t -92.37 -38.65 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.251 1.02 . . . . 0.0 112.052 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 25.9 t -100.21 -27.14 13.66 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.361 1.464 . . . . 0.0 112.24 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.48 -155.79 31.25 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.806 1.194 . . . . 0.0 112.855 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -67.8 3.02 1.61 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -64.87 -26.8 68.48 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.147 1.379 . . . . 0.0 112.216 168.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -64.35 155.99 45.99 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 118.905 0.775 . . . . 0.0 113.504 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 42.6 -89.83 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.48 2.312 . . . . 0.0 115.692 175.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.48 -14.07 62.01 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 79.2 t80 64.83 155.09 0.07 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.908 2.483 . . . . 0.0 116.564 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 7.2 t -149.38 144.71 18.2 Favored Pre-proline 0 N--CA 1.472 0.631 0 C-N-CA 126.815 2.046 . . . . 0.0 108.76 169.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.84 133.67 51.86 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.872 2.381 . . . . 0.0 112.863 174.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -66.14 -23.03 66.41 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 82.2 m -120.57 113.39 20.2 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.678 1.591 . . . . 0.0 108.06 168.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.371 1.469 . . . . 0.0 112.019 -173.297 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 CA-C-O 121.067 0.259 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mm -69.78 -51.97 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.844 1.258 . . . . 0.0 112.619 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.7 t -71.88 -38.94 66.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.008 0.523 . . . . 0.0 112.084 -170.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.47 -39.47 73.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.467 1.107 . . . . 0.0 112.75 -173.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -62.08 -33.16 73.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.654 1.182 . . . . 0.0 113.351 -175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.3 m -108.45 -8.27 15.62 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -90.37 -39.65 12.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.947 0.899 . . . . 0.0 111.84 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.2 p -85.01 -20.85 29.85 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.5 m -141.97 161.55 37.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.756 2.022 . . . . 0.0 110.897 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 pt -70.48 153.15 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.337 0.655 . . . . 0.0 112.296 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.7 m -135.22 158.52 44.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.763 1.225 . . . . 0.0 113.565 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -105.94 159.65 15.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.642 1.577 . . . . 0.0 111.575 170.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -54.04 -33.76 58.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.878 1.271 . . . . 0.0 112.93 -173.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -62.25 -33.04 73.84 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.716 0.806 . . . . 0.0 113.156 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -73.28 -34.29 65.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.823 0.849 . . . . 0.0 110.902 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.48 -39.18 71.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.855 0.862 . . . . 0.0 111.112 172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -62.05 -35.79 79.68 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.783 0.833 . . . . 0.0 112.129 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.41 -29.21 67.57 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.127 0.971 . . . . 0.0 113.353 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.9 -5.8 54.55 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -76.1 44.83 0.33 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 126.059 1.743 . . . . 0.0 112.996 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -86.56 101.38 13.16 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.234 1.414 . . . . 0.0 110.414 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 C-N-CA 125.474 1.511 . . . . 0.0 113.324 178.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.381 0.134 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.5 m -66.82 159.69 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 124.336 1.055 . . . . 0.0 112.494 175.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -78.18 49.57 0.83 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.765 1.626 . . . . 0.0 115.234 -170.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -90.84 148.11 22.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.326 1.45 . . . . 0.0 112.88 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -107.67 138.94 43.0 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.343 1.457 . . . . 0.0 110.869 172.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -120.0 109.72 15.83 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.646 1.579 . . . . 0.0 109.518 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 81.4 m -122.18 140.22 52.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.249 1.419 . . . . 0.0 110.847 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.71 -120.62 12.42 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.123 0.868 . . . . 0.0 113.135 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 26.3 m -59.28 -25.52 64.18 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -74.74 -29.52 61.19 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.798 1.181 . . . . 0.0 112.053 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -47.86 70.98 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.751 1.221 . . . . 0.0 109.824 171.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 83.9 t -60.45 -49.69 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.031 0.932 . . . . 0.0 111.032 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -60.98 -41.54 96.66 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.496 -0.753 . . . . 0.0 111.846 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.61 83.54 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.11 -32.33 70.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.017 1.28 . . . . 0.0 111.888 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.27 -34.05 72.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.037 0.835 . . . . 0.0 112.736 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -69.63 -37.45 76.82 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.072 -1.017 . . . . 0.0 112.61 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.28 -45.31 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 118.575 0.625 . . . . 0.0 111.973 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.49 -16.17 24.77 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 -171.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.83 -158.48 46.68 Favored Glycine 0 CA--C 1.535 1.337 0 O-C-N 121.202 -0.936 . . . . 0.0 113.031 -169.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.1 0.81 8.64 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -172.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -58.57 -36.85 74.59 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.42 1.488 . . . . 0.0 113.164 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 59.46 -148.13 41.66 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.36 0.981 . . . . 0.0 114.605 175.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -148.03 155.1 41.11 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.443 1.097 . . . . 0.0 112.653 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -86.71 162.18 18.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.86 1.664 . . . . 0.0 111.082 170.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -52.98 138.53 30.15 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.169 0.988 . . . . 0.0 112.801 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 37.0 p 41.87 73.42 0.91 Allowed Pre-proline 0 N--CA 1.477 0.877 0 C-N-CA 126.68 1.992 . . . . 0.0 113.402 -173.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -46.84 125.23 9.52 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 124.574 3.516 . . . . 0.0 114.085 -172.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.75 154.56 18.87 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.882 1.273 . . . . 0.0 112.317 -171.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 30.4 p -81.07 163.53 23.12 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.355 1.462 . . . . 0.0 112.472 175.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.243 1.817 . . . . 0.0 111.719 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 112.328 -0.309 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.7 -46.25 96.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 125.038 1.335 . . . . 0.0 112.028 -173.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -43.76 97.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.871 0.869 . . . . 0.0 112.253 -171.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.52 -46.0 77.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.552 1.141 . . . . 0.0 111.867 -175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -66.87 -36.93 83.42 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.348 0.869 . . . . 0.0 113.348 -170.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.54 -15.6 21.55 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 t -86.79 -38.82 16.5 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.308 -0.87 . . . . 0.0 111.544 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.4 p -86.7 -19.18 29.58 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -143.86 160.71 40.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.517 1.927 . . . . 0.0 111.359 178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.5 pt -64.21 147.28 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 121.139 -0.975 . . . . 0.0 112.711 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -119.56 153.36 35.52 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.696 1.198 . . . . 0.0 113.936 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 m -100.5 163.21 12.47 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.27 1.828 . . . . 0.0 111.991 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.34 -40.85 65.21 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.702 0.801 . . . . 0.0 111.774 169.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -63.91 -20.54 65.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.476 1.11 . . . . 0.0 113.802 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -85.87 -46.92 10.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.97 0.908 . . . . 0.0 110.795 172.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.34 -31.84 73.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.191 0.996 . . . . 0.0 112.813 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -74.18 -16.05 61.0 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.299 1.04 . . . . 0.0 113.387 174.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -87.26 -29.64 21.5 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.986 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -73.88 -21.56 60.04 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -174.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.9 p -69.63 150.39 47.09 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -172.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -79.98 56.39 2.36 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.53 1.932 . . . . 0.0 112.571 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.211 0 CA-C-O 118.173 -1.348 . . . . 0.0 113.481 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.571 0.224 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 13.4 p -140.41 142.38 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.696 1.598 . . . . 0.0 109.687 170.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -64.45 129.94 41.8 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.308 0.575 . . . . 0.0 110.696 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -151.59 163.5 38.92 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.704 1.202 . . . . 0.0 112.103 -169.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -76.4 137.95 40.08 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.361 0.664 . . . . 0.0 110.386 170.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 74.2 mt -140.92 126.58 19.02 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.312 1.845 . . . . 0.0 109.342 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.19 145.44 43.69 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.553 0.741 . . . . 0.0 111.236 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.57 -127.25 33.62 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.216 0.912 . . . . 0.0 113.219 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.1 p -56.06 -31.43 63.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 114.192 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -71.09 -33.82 70.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.425 1.012 . . . . 0.0 111.883 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.72 -43.37 69.09 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.506 1.122 . . . . 0.0 110.609 174.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.01 -45.61 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.443 0.697 . . . . 0.0 111.195 174.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.4 -42.07 99.15 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.476 -0.765 . . . . 0.0 111.616 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.69 -44.51 93.5 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.3 pp -68.93 -29.94 68.3 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.666 -1.272 . . . . 0.0 112.282 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -70.43 -19.68 62.96 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.09 -40.13 14.03 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.128 0.971 . . . . 0.0 112.15 172.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 92.3 t -78.03 -41.67 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.926 0.89 . . . . 0.0 112.104 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 34.2 t -99.9 -2.35 35.01 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.886 1.274 . . . . 0.0 113.339 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.41 -143.91 41.57 Favored Glycine 0 CA--C 1.533 1.176 0 O-C-N 120.877 -1.139 . . . . 0.0 113.423 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -73.46 35.3 0.08 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.709 2.404 . . . . 0.0 115.476 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 47.0 mtt85 -129.58 -1.36 4.9 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 127.486 2.314 . . . . 0.0 114.032 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -50.0 -61.53 5.67 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.87 1.224 . . . . 0.0 114.926 -168.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -131.29 -40.2 1.14 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.457 1.103 . . . . 0.0 112.18 173.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -130.69 159.07 38.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.655 1.982 . . . . 0.0 111.383 173.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -74.0 141.3 45.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.23 0.612 . . . . 0.0 112.6 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 56.4 m -119.0 130.47 24.82 Favored Pre-proline 0 N--CA 1.474 0.749 0 C-N-CA 125.132 1.373 . . . . 0.0 109.611 172.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.9 136.16 65.44 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 123.23 2.62 . . . . 0.0 114.638 -177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -66.16 144.52 56.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.886 1.274 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 37.4 p -88.47 -11.87 44.64 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.95 1.3 . . . . 0.0 114.349 -171.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.2 ttt-85 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.665 1.986 . . . . 0.0 110.748 178.622 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 CA-C-O 121.117 0.287 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -40.59 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.912 1.285 . . . . 0.0 113.484 -170.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -64.28 -50.08 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 122.861 0.464 . . . . 0.0 110.469 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -57.98 -39.62 78.64 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.943 0.897 . . . . 0.0 112.05 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -59.78 -25.29 64.79 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.66 -18.0 12.88 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 171.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -97.13 -36.79 10.36 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.2 p -109.25 -32.15 7.3 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.618 1.167 . . . . 0.0 111.64 174.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -93.54 155.33 17.38 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.459 1.504 . . . . 0.0 109.318 166.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.4 pt -73.55 144.72 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 O-C-N 120.978 -1.076 . . . . 0.0 112.87 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.7 t -110.15 148.95 30.8 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.573 1.949 . . . . 0.0 112.653 -169.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.3 m -154.0 157.18 38.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.683 1.593 . . . . 0.0 111.447 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.48 -45.77 13.35 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.3 1.04 . . . . 0.0 112.467 176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -70.52 -3.75 19.54 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -97.7 -48.39 5.24 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.357 1.463 . . . . 0.0 110.391 169.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.52 -29.25 69.87 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -59.18 -15.41 14.63 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.021 1.328 . . . . 0.0 114.266 172.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -89.39 -50.4 6.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.183 -0.948 . . . . 0.0 110.92 174.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -70.69 -5.53 30.37 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.033 1.333 . . . . 0.0 114.577 -169.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.8 p -90.07 -16.86 28.85 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -141.27 -39.36 0.4 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.287 0 C-N-CA 124.726 1.155 . . . . 0.0 112.907 -168.512 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 64.0 t80 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.939 0.399 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.92 155.63 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.669 1.588 . . . . 0.0 110.569 170.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . 0.352 7.0 p30 53.57 179.84 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.424 2.29 . . . . 0.0 116.393 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 61.94 -174.6 0.14 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.643 1.577 . . . . 0.0 111.947 -166.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -119.75 153.12 36.15 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -169.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 99.5 mt -137.45 135.77 37.17 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 127.427 2.291 . . . . 0.0 109.351 171.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 1.7 t -137.56 153.83 49.9 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.583 0.753 . . . . 0.0 112.398 -172.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.95 -130.78 36.47 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 123.968 0.794 . . . . 0.0 113.876 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 30.9 p -58.54 -27.97 65.04 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -73.12 -32.89 65.21 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.793 1.179 . . . . 0.0 112.104 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.2 tt -66.53 -46.86 74.76 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.607 1.163 . . . . 0.0 110.206 171.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.71 -42.47 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.377 0.671 . . . . 0.0 111.852 176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -39.7 93.99 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.006 -1.059 . . . . 0.0 111.776 174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.21 87.27 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.6 pp -67.11 -30.29 70.27 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 120.455 1.48 . . . . 0.0 112.21 176.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -68.0 -42.17 81.15 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.737 -0.602 . . . . 0.0 112.045 170.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 73.4 mt -71.35 -35.45 71.17 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.07 -1.019 . . . . 0.0 113.016 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -72.72 -33.85 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.715 1.206 . . . . 0.0 111.874 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 58.3 m -112.31 -14.56 13.3 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -174.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.22 -123.59 26.11 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 119.256 0.934 . . . . 0.0 112.809 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -4.49 12.22 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -170.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -61.87 -34.8 76.66 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.074 0.949 . . . . 0.0 112.716 172.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.03 -118.87 6.14 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.035 0.826 . . . . 0.0 113.123 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -123.11 144.62 49.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.622 1.569 . . . . 0.0 112.23 -173.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -14.46 58.87 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 59.6 171.78 0.08 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.509 1.923 . . . . 0.0 114.4 -171.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 21.8 m -54.79 122.65 41.65 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 124.97 1.308 . . . . 0.0 112.38 -169.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -73.58 159.69 45.55 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.355 2.703 . . . . 0.0 112.877 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 167.63 21.52 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.872 1.269 . . . . 0.0 112.918 176.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 6.8 t -68.99 156.36 38.74 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 51.0 tpt85 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.591 1.956 . . . . 0.0 112.05 -179.054 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.26 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -157.54 -50.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 124.87 1.268 . . . . 0.0 112.246 -178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.69 -38.85 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.278 -0.889 . . . . 0.0 110.88 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -74.61 1.16 12.8 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.574 1.15 . . . . 0.0 114.075 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.82 -40.78 8.36 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.604 1.162 . . . . 0.0 112.054 170.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 69.9 m -114.42 -16.98 11.87 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 -170.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.48 -50.97 6.84 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.865 1.211 . . . . 0.0 110.816 176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 p -85.25 -13.11 50.84 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.426 1.49 . . . . 0.0 114.033 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -141.8 169.63 17.23 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.953 1.701 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.5 138.33 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.482 1.113 . . . . 0.0 110.898 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -129.93 163.24 26.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.2 1.4 . . . . 0.0 113.068 173.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -132.75 153.98 50.67 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.72 2.008 . . . . 0.0 110.436 173.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.7 -32.93 45.23 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.043 0.937 . . . . 0.0 113.342 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.62 -25.01 65.96 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.33 1.452 . . . . 0.0 113.876 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -87.55 -33.09 19.05 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.805 1.642 . . . . 0.0 111.788 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -68.56 -25.62 65.0 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.92 -22.53 5.68 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.927 1.291 . . . . 0.0 114.202 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -60.99 -42.12 97.78 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.494 1.118 . . . . 0.0 112.379 175.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -83.36 -10.89 58.18 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -170.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.8 m -73.66 10.85 0.96 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.008 1.723 . . . . 0.0 115.0 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -106.47 9.45 31.63 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.837 1.655 . . . . 0.0 113.743 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.821 1.676 . . . . 0.0 112.745 175.461 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 119.546 -0.264 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 75.5 t 65.19 135.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 C-N-CA 127.484 2.314 . . . . 0.0 113.845 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.57 55.93 8.37 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.815 2.046 . . . . 0.0 113.428 -176.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -140.0 165.52 27.1 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.526 1.531 . . . . 0.0 112.724 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -86.48 139.91 30.44 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.759 0.824 . . . . 0.0 110.633 168.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 64.0 mt -140.19 120.42 13.86 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.244 1.818 . . . . 0.0 109.422 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.0 146.24 48.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.88 0.872 . . . . 0.0 111.574 -174.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 51.46 -126.02 27.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.126 0.87 . . . . 0.0 113.178 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -57.81 -29.26 64.76 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -71.49 -34.07 69.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.645 1.111 . . . . 0.0 111.673 177.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.51 -46.37 69.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.312 1.045 . . . . 0.0 110.198 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 95.2 t -58.83 -46.66 90.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.995 0.918 . . . . 0.0 111.073 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.44 -36.65 78.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.619 0.768 . . . . 0.0 111.947 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -36.71 85.17 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.22 0.918 . . . . 0.0 113.085 174.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.25 -48.58 79.29 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.468 1.031 . . . . 0.0 109.643 171.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -67.91 -21.42 65.13 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 48.8 mt -80.08 -43.06 22.46 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.124 -0.985 . . . . 0.0 112.251 172.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 5.1 p -84.46 -31.97 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 61.7 m -103.06 3.58 36.21 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.326 1.451 . . . . 0.0 113.839 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 58.78 -139.3 48.63 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.866 0.746 . . . . 0.0 112.004 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -61.91 -9.67 7.52 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -96.19 24.22 5.88 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.269 1.428 . . . . 0.0 114.162 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.82 -32.84 34.25 Favored Glycine 0 CA--C 1.543 1.818 0 C-N-CA 124.259 0.933 . . . . 0.0 113.483 176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -129.94 150.19 51.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.959 2.103 . . . . 0.0 108.437 166.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -132.85 156.52 47.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.498 1.119 . . . . 0.0 112.985 -169.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -86.36 -13.26 46.94 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -168.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 22.1 p -69.85 147.64 96.17 Favored Pre-proline 0 N--CA 1.479 0.978 0 CA-C-N 119.497 1.044 . . . . 0.0 113.054 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.62 153.98 72.39 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 123.319 2.679 . . . . 0.0 112.85 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -147.5 161.28 41.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.956 1.702 . . . . 0.0 112.204 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 45.9 p -117.33 -6.87 11.25 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 -169.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 . . . . . 0 N--CA 1.483 1.211 0 C-N-CA 125.874 1.67 . . . . 0.0 112.453 -175.181 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.325 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tp -156.7 -41.25 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.764 1.226 . . . . 0.0 110.943 175.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.84 -44.79 78.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.266 1.426 . . . . 0.0 111.89 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -58.2 -30.7 66.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.626 1.171 . . . . 0.0 113.517 -175.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -73.15 -8.17 54.58 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.765 1.626 . . . . 0.0 114.561 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.6 m -125.57 -17.08 5.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.073 1.749 . . . . 0.0 113.609 168.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.0 t -88.43 -33.75 17.76 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.392 1.077 . . . . 0.0 112.806 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.1 p -74.62 -32.44 62.31 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 120.764 -1.21 . . . . 0.0 113.091 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.8 p -157.79 165.41 35.39 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.284 1.834 . . . . 0.0 111.017 174.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 pt -58.28 143.17 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.633 0.773 . . . . 0.0 111.976 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.3 p -128.98 178.05 6.67 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -168.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -85.05 151.36 24.21 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.513 0.725 . . . . 0.0 112.687 -173.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.88 -33.28 73.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.572 -0.705 . . . . 0.0 110.431 169.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -65.2 -27.9 69.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.259 1.024 . . . . 0.0 113.225 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.77 -45.19 62.43 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.499 -0.751 . . . . 0.0 110.101 173.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.44 -31.57 72.4 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.335 -0.853 . . . . 0.0 112.61 176.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.69 -11.59 60.69 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.079 0.952 . . . . 0.0 113.406 169.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -97.18 -30.22 13.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.421 1.488 . . . . 0.0 112.435 174.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -77.14 -23.98 51.66 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.873 0.76 . . . . 0.0 112.64 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 29.1 p -74.8 171.34 14.15 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.999 0.919 . . . . 0.0 112.883 171.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.93 38.74 27.8 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.438 1.895 . . . . 0.0 111.605 -169.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.151 0 CA-C-O 117.733 -1.593 . . . . 0.0 113.007 179.549 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 N--CA 1.484 1.255 0 CA-C-O 120.749 0.309 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 12.7 m -68.54 162.42 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.137 0.975 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -128.55 153.3 47.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.809 1.243 . . . . 0.0 111.217 176.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . 0.28 6.5 pt20 50.64 -177.94 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 127.825 2.45 . . . . 0.0 114.884 -170.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -78.25 124.9 28.61 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.656 -1.277 . . . . 0.0 112.184 -171.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 10.9 mp -98.0 89.01 4.4 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.727 1.211 . . . . 0.0 109.002 175.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 59.3 m -116.91 142.66 46.65 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.121 1.768 . . . . 0.0 110.545 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.88 -123.77 18.04 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.975 0.798 . . . . 0.0 113.726 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.3 m -56.31 -30.97 63.23 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -71.68 -32.45 67.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.44 1.018 . . . . 0.0 112.434 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.21 -41.11 70.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.206 0.603 . . . . 0.0 111.867 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.78 -47.64 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.499 0.72 . . . . 0.0 110.11 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -59.21 -44.52 92.26 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.344 0.658 . . . . 0.0 111.73 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.74 99.91 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.25 3.8 pp -72.25 -30.98 65.38 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.077 1.308 . . . . 0.0 112.026 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -70.63 -15.22 62.72 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 74.1 mt -94.91 -39.92 9.97 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.636 1.174 . . . . 0.0 112.778 172.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 98.4 t -84.13 -35.51 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.984 0.914 . . . . 0.0 112.251 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 37.5 t -106.83 -4.99 18.68 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.894 1.278 . . . . 0.0 113.149 175.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.27 -145.97 38.51 Favored Glycine 0 CA--C 1.533 1.157 0 O-C-N 120.989 -1.07 . . . . 0.0 114.313 174.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.03 -23.89 49.68 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.957 2.103 . . . . 0.0 115.24 -172.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -62.18 -31.8 72.36 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -169.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 51.25 -139.2 26.06 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.144 0.878 . . . . 0.0 114.536 170.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -151.8 158.88 43.89 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.474 1.51 . . . . 0.0 110.596 169.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -88.16 157.25 18.88 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.671 0.788 . . . . 0.0 112.289 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.48 -23.18 67.19 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.764 1.226 . . . . 0.0 114.143 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 37.0 m -127.46 90.21 49.21 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 125.392 1.477 . . . . 0.0 108.282 170.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -54.36 142.12 70.02 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 123.556 2.837 . . . . 0.0 114.491 -170.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -111.42 -17.13 13.18 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.818 2.047 . . . . 0.0 113.009 -177.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 5.9 t -64.48 158.38 24.11 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.646 1.179 . . . . 0.0 112.753 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.266 1.827 . . . . 0.0 111.484 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.4 mm -63.25 -44.87 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.643 1.177 . . . . 0.0 111.388 -174.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.4 -46.34 56.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.569 0.748 . . . . 0.0 112.064 -172.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -67.83 -29.76 68.99 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.041 -1.037 . . . . 0.0 113.288 -169.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -68.7 -27.79 66.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.216 1.007 . . . . 0.0 113.656 177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 t -118.41 -18.76 9.1 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -97.44 -51.8 4.02 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.769 1.168 . . . . 0.0 112.803 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 p -90.71 -5.87 55.19 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.276 1.03 . . . . 0.0 113.723 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 t -139.36 162.47 34.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 127.083 2.153 . . . . 0.0 110.21 169.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.84 154.58 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.33 165.59 26.79 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 113.111 -172.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.2 t -138.08 169.1 18.37 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.556 1.942 . . . . 0.0 110.444 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 54.1 mt -55.25 -36.26 65.87 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 111.535 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -64.89 -31.59 72.9 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 176.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -83.99 -35.23 24.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.671 1.188 . . . . 0.0 110.989 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.56 -35.83 81.78 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.623 0.769 . . . . 0.0 111.289 170.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -68.36 -26.39 65.56 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.938 0.895 . . . . 0.0 113.008 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -68.44 -24.16 64.7 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.076 -1.015 . . . . 0.0 112.803 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -78.12 -19.88 53.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.195 0.998 . . . . 0.0 113.527 175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.75 158.47 21.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 112.849 174.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -71.91 127.71 33.43 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.64 -0.663 . . . . 0.0 111.785 175.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 CA-C-O 118.314 -1.27 . . . . 0.0 112.838 178.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 14.5 t80 . . . . . 0 N--CA 1.488 1.445 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.8 p -78.29 5.66 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.8 t30 54.82 46.49 24.4 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.438 1.895 . . . . 0.0 113.739 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -101.87 166.93 10.39 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.198 1.799 . . . . 0.0 112.444 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -123.65 145.81 48.67 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.684 1.593 . . . . 0.0 111.07 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 68.3 mt -132.1 143.78 50.26 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.929 2.092 . . . . 0.0 110.028 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.04 156.94 47.97 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.508 0.723 . . . . 0.0 112.077 -177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.2 -131.45 37.78 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.656 1.122 . . . . 0.0 114.077 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.9 m -55.99 -32.26 63.78 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.576 1.15 . . . . 0.0 113.753 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.69 -33.28 64.36 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.267 0.94 . . . . 0.0 112.843 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -46.87 73.45 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.182 0.993 . . . . 0.0 109.577 171.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.05 -47.52 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.216 1.007 . . . . 0.0 111.514 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -63.6 -46.05 87.57 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.41 -0.806 . . . . 0.0 111.989 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.36 97.53 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.91 -41.94 77.5 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-O 118.584 -0.722 . . . . 0.0 110.415 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -56.92 -43.31 81.3 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.409 1.004 . . . . 0.0 112.635 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.03 -34.21 77.5 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.941 0.897 . . . . 0.0 112.693 175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 63.6 t -74.12 -36.29 43.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.658 0.783 . . . . 0.0 112.789 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.9 m -66.27 -33.38 75.61 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.96 -109.48 2.27 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 118.445 0.566 . . . . 0.0 112.169 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -79.56 -11.14 59.89 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -81.48 149.57 28.68 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.191 0.996 . . . . 0.0 112.023 173.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -80.47 -174.91 48.51 Favored Glycine 0 N--CA 1.469 0.88 0 CA-C-O 122.301 0.945 . . . . 0.0 114.215 177.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -91.32 145.71 24.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.179 1.392 . . . . 0.0 112.795 -174.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 61.3 t80 61.29 133.04 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.263 2.625 . . . . 0.0 115.759 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -78.58 102.24 7.84 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.605 -1.31 . . . . 0.0 110.386 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 13.9 p -75.85 156.77 84.34 Favored Pre-proline 0 N--CA 1.474 0.74 0 C-N-CA 123.91 0.884 . . . . 0.0 112.966 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.62 152.37 56.28 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.524 2.816 . . . . 0.0 114.287 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -132.31 159.6 38.67 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.714 1.605 . . . . 0.0 112.09 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 34.7 p -74.02 159.74 32.27 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.049 1.34 . . . . 0.0 112.898 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.267 1.827 . . . . 0.0 111.363 -179.402 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 tt -78.89 -33.65 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.63 -42.08 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 110.471 -176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -78.16 12.46 1.85 Allowed 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -122.64 -30.23 3.92 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.076 1.75 . . . . 0.0 112.384 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.9 m -113.95 -19.98 11.22 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.7 t -97.57 -44.38 6.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.974 1.261 . . . . 0.0 112.077 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.1 p -74.09 -23.72 59.37 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.483 1.113 . . . . 0.0 113.44 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 t -148.05 167.57 24.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.458 1.903 . . . . 0.0 110.497 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 22.2 pt -61.21 146.46 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.797 . . . . 0.0 112.941 175.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.2 p -142.97 174.53 10.59 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.949 . . . . 0.0 111.562 169.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.6 t -125.67 157.72 36.57 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.261 1.424 . . . . 0.0 113.034 -175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.4 mt -54.24 -36.39 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.105 1.362 . . . . 0.0 111.718 176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -68.18 -18.62 64.65 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -87.89 -31.9 19.24 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.649 1.18 . . . . 0.0 111.702 170.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.6 -25.63 68.32 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.043 0.838 . . . . 0.0 113.111 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.78 -24.67 62.14 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 170.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.98 -26.28 65.84 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.054 -1.029 . . . . 0.0 112.802 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -105.77 -8.78 17.59 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -170.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.6 p -93.58 -16.66 24.16 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.208 1.558 . . . . 0.0 115.208 -171.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -123.81 -39.72 2.38 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.452 1.101 . . . . 0.0 112.456 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.345 0 C-N-CA 124.006 0.812 . . . . 0.0 113.074 -168.402 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 120.651 0.262 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 14.7 p -142.57 144.5 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.825 1.65 . . . . 0.0 109.976 169.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.42 129.58 22.14 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.654 1.181 . . . . 0.0 112.845 -178.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -148.23 164.54 33.68 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -169.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -82.48 138.88 34.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.146 0.978 . . . . 0.0 110.92 169.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 58.9 mt -141.89 138.02 31.78 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.059 2.144 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.73 156.35 45.61 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.558 0.743 . . . . 0.0 112.409 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.03 -134.17 36.47 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.093 0.854 . . . . 0.0 114.006 173.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.7 m -59.91 -28.16 67.35 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -70.88 -36.28 72.7 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.455 1.025 . . . . 0.0 111.757 175.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 46.0 tp -70.46 -39.7 74.11 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.209 1.004 . . . . 0.0 111.883 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.5 -48.32 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 122.79 0.436 . . . . 0.0 110.602 172.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.26 -42.57 81.79 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.618 -0.676 . . . . 0.0 111.337 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.8 84.88 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.75 -31.15 67.87 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.195 1.361 . . . . 0.0 112.016 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -68.32 -46.54 69.95 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.01 0.524 . . . . 0.0 111.688 169.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.04 -40.73 95.2 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.594 1.158 . . . . 0.0 111.856 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.73 -35.82 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.202 1.001 . . . . 0.0 111.548 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 78.0 m -104.64 15.68 27.52 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 62.92 -102.95 0.56 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.019 1.295 . . . . 0.0 113.724 172.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.63 -12.31 56.15 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -102.21 150.11 23.62 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.731 1.213 . . . . 0.0 112.675 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -169.17 143.8 8.25 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.317 1.913 . . . . 0.0 110.992 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . 0.266 28.9 m-85 45.06 -102.21 0.06 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.506 1.522 . . . . 0.0 113.831 -169.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -140.14 131.95 27.51 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.2 1.0 . . . . 0.0 111.915 -175.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -91.56 -17.54 25.48 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.682 1.193 . . . . 0.0 112.909 169.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 59.6 m -140.46 131.98 14.15 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 126.808 2.043 . . . . 0.0 108.293 173.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.91 148.93 82.96 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 122.757 2.305 . . . . 0.0 112.975 -175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -96.94 17.7 16.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.474 1.51 . . . . 0.0 113.592 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 24.5 p -71.89 159.48 34.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.686 1.595 . . . . 0.0 113.142 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.413 1.885 . . . . 0.0 111.785 -177.786 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 tt -155.08 -47.56 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.069 1.348 . . . . 0.0 112.105 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.4 -44.51 94.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.704 0.802 . . . . 0.0 110.988 -173.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -58.46 -22.23 53.98 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.805 1.242 . . . . 0.0 113.146 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -87.93 -22.79 24.14 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.332 1.453 . . . . 0.0 113.137 -174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -130.44 -10.04 4.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.68 -37.64 11.73 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.979 1.312 . . . . 0.0 113.794 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.7 p -99.64 -59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.772 1.229 . . . . 0.0 109.638 172.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -67.0 151.64 47.27 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.604 1.161 . . . . 0.0 110.93 168.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 pt -68.68 156.0 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.693 0.797 . . . . 0.0 113.009 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.0 t -125.69 150.19 47.86 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.988 1.315 . . . . 0.0 113.898 -169.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -147.62 156.06 42.42 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 126.406 1.882 . . . . 0.0 111.304 -176.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.34 -32.47 62.54 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.786 0.834 . . . . 0.0 112.297 169.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -65.32 -29.65 70.42 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.366 1.067 . . . . 0.0 113.17 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.02 -44.89 14.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.642 1.177 . . . . 0.0 110.689 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.72 -38.7 85.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.755 1.222 . . . . 0.0 112.816 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -64.98 -26.25 68.22 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.06 -32.23 68.87 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.235 -0.916 . . . . 0.0 112.213 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -72.4 -18.31 61.74 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.348 -0.845 . . . . 0.0 112.673 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.6 m -68.38 -8.11 37.41 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -86.1 -3.41 58.95 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 171.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.284 0 C-N-CA 125.455 1.502 . . . . 0.0 114.158 179.263 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.5 t80 . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 1.6 t 53.74 -141.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 124.343 1.057 . . . . 0.0 110.718 -170.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -78.7 65.82 4.05 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.182 1.393 . . . . 0.0 112.462 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -137.4 147.08 45.16 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.723 2.009 . . . . 0.0 110.432 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.04 154.1 50.45 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.198 1.399 . . . . 0.0 113.239 174.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 22.5 tp -149.69 143.38 25.43 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.491 1.516 . . . . 0.0 112.19 -166.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 33.2 m -131.29 161.85 31.37 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -168.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 54.15 -140.19 36.09 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 125.513 1.53 . . . . 0.0 115.573 168.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.0 m -57.85 -29.23 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.342 1.057 . . . . 0.0 113.397 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.52 -28.85 62.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.321 -0.862 . . . . 0.0 112.834 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 45.9 tp -71.2 -36.08 71.78 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.629 0.772 . . . . 0.0 111.327 170.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.37 -43.23 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.04 0.536 . . . . 0.0 110.66 170.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.64 -39.24 79.97 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.02 -1.05 . . . . 0.0 111.677 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.06 89.31 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.72 -35.64 77.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.867 1.212 . . . . 0.0 111.452 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.53 -35.71 81.37 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.506 0.722 . . . . 0.0 112.4 170.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.94 -35.19 72.11 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.944 -1.097 . . . . 0.0 112.351 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 58.6 t -71.37 -37.19 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.731 0.812 . . . . 0.0 112.292 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 72.7 m -107.34 -2.46 20.62 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -172.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 63.97 -138.26 41.73 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.595 1.093 . . . . 0.0 113.551 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.1 -14.7 51.64 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.947 1.299 . . . . 0.0 114.242 -175.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -64.93 -39.5 93.6 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.651 1.181 . . . . 0.0 113.086 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 56.83 -124.39 35.31 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 109.662 -1.375 . . . . 0.0 109.662 -168.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -121.08 129.95 53.54 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.033 0.916 . . . . 0.0 111.8 166.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -168.64 145.21 3.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.318 2.247 . . . . 0.0 108.73 -173.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -75.51 132.71 40.93 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.863 1.211 . . . . 0.0 112.547 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 96.8 m -59.41 125.72 80.1 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 124.178 0.991 . . . . 0.0 111.82 -178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -64.99 149.21 89.72 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 122.984 2.456 . . . . 0.0 113.811 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 23.3 pttp 44.38 44.8 7.11 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.883 2.073 . . . . 0.0 115.71 170.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 14.2 p -61.73 152.01 32.33 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.977 1.311 . . . . 0.0 113.0 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.409 1.884 . . . . 0.0 111.452 -179.446 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt -58.02 -47.67 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.496 1.518 . . . . 0.0 112.443 -171.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.9 t -63.45 -45.2 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.963 0.505 . . . . 0.0 110.939 -178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.67 -38.88 92.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.926 0.891 . . . . 0.0 112.408 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -61.04 -32.49 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.209 1.004 . . . . 0.0 113.069 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -100.88 -25.6 14.04 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.8 t -94.93 -31.39 13.68 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.427 1.467 . . . . 0.0 114.652 -169.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -111.6 -35.71 5.7 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.102 0.864 . . . . 0.0 112.061 171.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.7 m -95.11 169.63 9.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.545 1.138 . . . . 0.0 110.493 167.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -87.14 152.68 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.725 -0.61 . . . . 0.0 110.513 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -131.33 -169.89 2.27 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.74 1.216 . . . . 0.0 112.427 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -133.75 156.01 48.74 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.98 1.712 . . . . 0.0 111.197 -173.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.3 mt -59.67 -35.26 74.09 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.834 -0.541 . . . . 0.0 110.76 169.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.49 -35.67 80.08 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.185 -0.947 . . . . 0.0 112.573 173.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -74.84 -40.92 60.75 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.394 -0.816 . . . . 0.0 111.101 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.9 -34.46 74.69 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.07 0.948 . . . . 0.0 111.915 172.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -67.04 -40.92 87.29 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.198 -0.939 . . . . 0.0 112.227 170.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -71.02 -19.63 62.49 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -71.34 -16.59 62.44 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.701 1.137 . . . . 0.0 113.084 170.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t -68.19 142.59 55.64 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.338 1.055 . . . . 0.0 112.472 175.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -96.97 68.36 2.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.585 1.554 . . . . 0.0 110.646 -175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.251 0 C-N-CA 125.503 1.525 . . . . 0.0 113.424 -179.385 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 49.6 p90 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.377 0.132 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.88 155.95 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 125.33 1.452 . . . . 0.0 111.623 175.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -66.3 137.98 57.31 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 121.362 0.601 . . . . 0.0 110.877 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -151.35 168.6 24.31 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.982 0.913 . . . . 0.0 112.686 -168.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -123.15 137.43 54.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.082 1.353 . . . . 0.0 113.016 -170.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.5 mt -147.11 147.44 30.57 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 127.323 2.249 . . . . 0.0 110.739 -177.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 83.5 m -129.91 153.05 48.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.011 1.324 . . . . 0.0 111.875 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.06 -130.32 28.13 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.818 1.199 . . . . 0.0 114.761 169.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -56.96 -30.05 63.74 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -75.85 -31.53 59.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.202 0.91 . . . . 0.0 112.848 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.93 -45.26 78.43 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 109.552 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.07 -45.55 98.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.691 0.797 . . . . 0.0 111.384 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -57.95 -45.34 86.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.217 -0.927 . . . . 0.0 111.278 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.32 83.54 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -36.12 77.22 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.515 1.052 . . . . 0.0 111.137 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -68.36 -42.41 79.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.813 0.445 . . . . 0.0 112.156 171.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.2 -44.55 88.03 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.481 1.112 . . . . 0.0 112.259 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 52.4 t -67.66 -31.78 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.818 0.735 . . . . 0.0 111.059 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.15 12.18 8.37 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.09 -97.77 0.6 Allowed Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.327 1.442 . . . . 0.0 113.922 175.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.6 -5.67 23.63 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.664 1.585 . . . . 0.0 114.309 -176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 48.8 ttt85 -117.62 167.35 11.41 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.633 1.973 . . . . 0.0 111.307 -174.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -159.26 -149.77 5.62 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.393 1.473 . . . . 0.0 111.592 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -76.21 -29.09 57.48 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.712 1.256 . . . . 0.0 113.812 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 72.3 t80 63.27 -52.28 0.2 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.699 2.799 . . . . 0.0 116.617 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -144.64 155.02 43.4 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.266 1.826 . . . . 0.0 111.707 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.8 t -67.37 143.63 97.45 Favored Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 123.589 0.756 . . . . 0.0 112.726 -176.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.16 153.02 55.34 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 123.1 2.533 . . . . 0.0 114.14 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -122.25 155.53 35.7 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.729 1.612 . . . . 0.0 111.931 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 9.3 t -71.49 156.32 39.57 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.531 0.733 . . . . 0.0 112.559 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.283 1.833 . . . . 0.0 112.346 -178.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.393 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.5 mm -109.81 -55.9 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.683 1.193 . . . . 0.0 111.627 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.3 t -72.74 -56.92 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 122.602 0.361 . . . . 0.0 111.661 -169.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -35.18 77.05 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.41 -0.806 . . . . 0.0 112.839 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -60.34 -26.91 66.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 113.056 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.9 t -106.24 -23.95 12.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.899 1.279 . . . . 0.0 113.777 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -101.82 -28.52 12.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -169.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -116.83 -36.91 3.74 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.999 0.818 . . . . 0.0 112.168 170.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.5 m -84.31 156.92 21.7 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.642 -0.661 . . . . 0.0 109.3 166.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pp -73.14 139.77 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-O 123.075 1.417 . . . . 0.0 113.077 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -105.55 152.19 23.37 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 127.117 2.167 . . . . 0.0 111.387 -174.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.6 p -148.38 163.62 36.57 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.845 1.258 . . . . 0.0 111.566 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.0 mt -60.84 -35.15 75.82 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 122.023 -0.423 . . . . 0.0 111.953 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -62.69 -36.96 84.6 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.655 -0.653 . . . . 0.0 112.306 174.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -76.37 -44.09 37.91 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.667 -0.646 . . . . 0.0 110.904 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 mt -60.65 -34.0 73.65 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.998 0.919 . . . . 0.0 112.104 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -70.12 -42.35 72.75 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.07 -1.019 . . . . 0.0 112.014 171.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -64.92 -31.24 72.38 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.42 -0.8 . . . . 0.0 113.15 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.92 -28.11 69.3 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.324 0.965 . . . . 0.0 112.733 173.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.4 t -88.27 -42.46 12.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.419 1.088 . . . . 0.0 112.609 173.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -78.54 -27.3 45.92 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -170.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.57 1.557 . . . . 0.0 114.08 -179.662 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 87.1 t80 . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.212 0.053 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 23.7 m -134.86 148.81 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 125.83 1.652 . . . . 0.0 110.83 172.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -64.57 137.56 57.91 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.574 0.75 . . . . 0.0 111.363 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -147.21 -177.6 5.77 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.539 1.935 . . . . 0.0 110.519 -168.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -119.3 146.01 45.63 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.954 -1.092 . . . . 0.0 112.404 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.38 152.64 45.92 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.141 1.776 . . . . 0.0 110.247 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 159.01 43.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.419 1.087 . . . . 0.0 111.745 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.09 -133.69 37.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.63 1.109 . . . . 0.0 114.861 169.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 19.5 m -61.39 -28.22 69.08 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -72.77 -36.61 67.7 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.196 0.907 . . . . 0.0 111.645 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.5 -48.34 79.98 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.534 1.134 . . . . 0.0 110.202 170.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.75 -45.0 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.44 0.696 . . . . 0.0 111.515 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.68 -43.5 98.74 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.341 0.973 . . . . 0.0 111.866 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.13 -45.57 84.54 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.564 -0.71 . . . . 0.0 111.838 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -32.56 74.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.269 -0.895 . . . . 0.0 111.714 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -46.83 87.86 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.378 1.071 . . . . 0.0 111.7 173.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.12 -37.7 57.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.347 1.059 . . . . 0.0 112.318 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 69.0 t -68.98 -27.37 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.545 0.738 . . . . 0.0 111.525 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.93 -13.62 47.14 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 174.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.92 -168.56 43.35 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.008 1.29 . . . . 0.0 113.351 -176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.12 -17.29 57.32 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -171.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -69.33 -32.61 71.83 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.183 1.393 . . . . 0.0 113.263 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 58.88 -177.41 2.09 Favored Glycine 0 N--CA 1.468 0.815 0 CA-C-O 123.379 1.544 . . . . 0.0 115.717 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -90.81 -26.59 19.35 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.084 -1.558 . . . . 0.0 113.095 -172.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 22.0 t80 53.48 48.76 21.06 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.234 1.814 . . . . 0.0 113.737 170.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -134.16 147.93 50.85 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.001 1.32 . . . . 0.0 111.826 177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 57.1 m -131.4 130.53 22.56 Favored Pre-proline 0 N--CA 1.473 0.684 0 C-N-CA 125.859 1.664 . . . . 0.0 108.836 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -55.74 150.04 46.9 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.393 2.729 . . . . 0.0 115.001 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -140.79 151.75 44.65 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.388 1.875 . . . . 0.0 110.617 -176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 89.8 m -77.58 112.25 14.17 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.452 0.701 . . . . 0.0 109.72 171.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 126.321 1.848 . . . . 0.0 112.606 -175.366 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 29.0 mm -132.77 -57.53 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.248 1.419 . . . . 0.0 110.289 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.88 -46.15 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.188 0.595 . . . . 0.0 112.489 -169.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -60.01 -34.31 73.17 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.896 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -60.07 -30.72 69.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.346 1.058 . . . . 0.0 113.059 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 m -107.32 -17.87 14.02 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -97.85 -37.45 9.83 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -172.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.5 p -106.08 -36.9 6.79 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.238 1.015 . . . . 0.0 111.212 171.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.4 m -94.88 178.75 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.773 1.629 . . . . 0.0 109.576 166.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -107.58 159.05 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.105 -0.997 . . . . 0.0 113.475 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.3 m -137.56 154.57 49.78 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.375 1.47 . . . . 0.0 112.566 -177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -121.87 177.63 5.21 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.373 1.469 . . . . 0.0 111.042 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.78 -28.78 66.27 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.685 1.194 . . . . 0.0 111.89 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -58.01 -41.03 82.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.175 0.99 . . . . 0.0 112.543 172.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -78.7 -39.48 36.46 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.728 -0.608 . . . . 0.0 111.44 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.37 -19.87 66.14 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.619 0.768 . . . . 0.0 112.657 176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -97.16 -2.42 43.01 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 168.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -87.4 -35.88 18.07 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.778 -1.201 . . . . 0.0 111.551 171.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -67.35 -23.84 65.65 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -177.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.3 p -83.68 -19.82 34.64 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 170.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -96.61 -28.25 14.44 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.141 1.376 . . . . 0.0 113.217 -174.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 C-N-CA 125.663 1.601 . . . . 0.0 114.367 -179.66 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 48.8 t80 . . . . . 0 N--CA 1.487 1.386 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . 0.275 30.7 m 43.81 -135.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.303 1.441 . . . . 0.0 111.8 -171.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -79.64 19.12 0.67 Allowed 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -121.41 147.65 45.44 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.272 1.429 . . . . 0.0 112.912 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -91.77 160.81 15.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.924 1.689 . . . . 0.0 114.672 -169.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 69.0 mt -138.96 131.42 28.64 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.577 2.351 . . . . 0.0 109.559 171.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 73.9 m -129.16 143.96 51.04 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.698 1.199 . . . . 0.0 111.544 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.26 -127.23 25.17 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.706 1.146 . . . . 0.0 113.985 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 22.2 m -57.59 -28.03 63.24 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.668 1.187 . . . . 0.0 114.182 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -70.37 -36.36 74.09 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.004 0.82 . . . . 0.0 111.623 175.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -68.18 -43.42 78.17 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.346 1.059 . . . . 0.0 110.608 174.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 52.7 t -63.24 -43.9 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.586 -0.696 . . . . 0.0 111.631 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.92 -44.48 97.13 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.284 -0.885 . . . . 0.0 111.512 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.56 92.14 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -34.15 72.83 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.383 0.992 . . . . 0.0 111.391 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -68.91 -37.15 78.77 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.99 -34.26 76.2 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.374 0.988 . . . . 0.0 112.407 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -79.05 -44.24 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.151 0.981 . . . . 0.0 112.271 177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 9.8 t -95.15 -20.12 19.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.59 -152.39 33.69 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.641 1.115 . . . . 0.0 113.04 -175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.84 -6.9 13.53 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.764 1.226 . . . . 0.0 114.075 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -70.4 -9.71 57.09 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.808 2.043 . . . . 0.0 113.472 170.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . -54.16 154.43 8.38 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 125.686 1.612 . . . . 0.0 115.081 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.42 166.22 23.93 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -173.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -140.11 160.62 39.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.148 0.979 . . . . 0.0 111.46 169.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -123.08 155.27 37.27 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.9 1.68 . . . . 0.0 111.388 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 34.9 p -94.51 158.09 36.13 Favored Pre-proline 0 N--CA 1.476 0.847 0 C-N-CA 124.899 1.28 . . . . 0.0 112.416 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -59.0 159.97 19.96 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.666 2.911 . . . . 0.0 114.232 176.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -136.53 149.69 48.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.98 1.712 . . . . 0.0 111.45 178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 41.5 p -108.09 -5.87 16.78 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.681 1.593 . . . . 0.0 114.245 -176.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 125.509 1.524 . . . . 0.0 113.139 178.724 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 CA-C-O 119.372 -0.682 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.6 mm 64.1 -51.23 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 129.666 3.187 . . . . 0.0 115.431 173.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.6 t -61.11 -41.11 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.207 1.403 . . . . 0.0 112.096 -174.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.47 -30.43 53.0 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.208 1.403 . . . . 0.0 113.689 178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -61.41 -23.25 65.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.812 1.245 . . . . 0.0 113.138 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.19 -10.15 5.87 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 172.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.1 t -89.84 -33.77 16.36 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.5 1.045 . . . . 0.0 113.391 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.6 p -113.48 -34.31 5.62 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.475 1.11 . . . . 0.0 111.622 173.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -97.66 -171.95 2.29 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.593 1.557 . . . . 0.0 109.725 166.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.59 153.2 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.303 1.041 . . . . 0.0 112.2 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.26 172.08 8.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.8 1.64 . . . . 0.0 112.683 -171.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 t -146.07 171.93 14.16 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.424 1.49 . . . . 0.0 110.681 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.5 mt -51.65 -37.23 49.43 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.522 1.529 . . . . 0.0 111.996 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -68.28 -14.29 62.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.29 1.436 . . . . 0.0 114.001 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -110.66 -37.42 5.45 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.454 1.502 . . . . 0.0 112.227 173.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.3 -30.69 68.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.294 1.038 . . . . 0.0 112.675 175.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.02 -30.31 68.66 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.291 -0.881 . . . . 0.0 112.925 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -81.58 -29.49 33.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.317 1.047 . . . . 0.0 113.049 -174.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -68.34 -9.86 50.88 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.2 m -75.88 51.18 0.62 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.833 1.253 . . . . 0.0 112.787 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -68.26 125.44 26.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.976 1.31 . . . . 0.0 112.228 -174.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 C-N-CA 125.658 1.599 . . . . 0.0 113.151 173.238 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.49 142.89 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.928 0.891 . . . . 0.0 112.905 -175.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -89.56 40.62 1.0 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.576 1.55 . . . . 0.0 113.006 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -129.18 154.2 46.98 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.219 1.808 . . . . 0.0 111.288 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -74.98 151.1 38.84 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 93.9 mt -133.9 134.38 42.6 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.039 2.136 . . . . 0.0 108.965 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.6 t -137.19 154.27 50.24 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -173.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.74 -132.03 49.84 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 124.638 1.113 . . . . 0.0 113.074 173.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 23.7 m -55.59 -31.36 62.16 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.315 1.046 . . . . 0.0 113.657 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -72.44 -31.43 65.45 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.391 0.996 . . . . 0.0 112.867 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.29 -40.51 58.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.406 1.082 . . . . 0.0 110.84 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 66.7 t -62.39 -43.52 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.145 0.578 . . . . 0.0 110.531 171.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.95 -40.37 95.32 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.175 -0.953 . . . . 0.0 111.534 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.89 88.59 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.01 0.823 . . . . 0.0 112.895 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.46 -39.44 85.34 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.648 1.113 . . . . 0.0 111.345 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -62.44 -40.29 96.12 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.14 -37.29 83.56 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.064 -1.022 . . . . 0.0 112.525 176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.17 -44.74 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 123.239 0.616 . . . . 0.0 112.389 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 7.2 p -89.4 -17.03 29.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 84.44 -154.73 30.22 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.92 1.248 . . . . 0.0 113.569 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -64.05 -16.42 61.66 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -172.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.98 83.14 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.717 1.207 . . . . 0.0 112.457 -177.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 55.39 -151.45 18.05 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.414 1.483 . . . . 0.0 115.802 169.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -79.77 142.8 35.03 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.191 -1.182 . . . . 0.0 111.466 169.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 48.92 -120.06 1.3 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.033 2.133 . . . . 0.0 114.315 171.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -148.42 156.05 41.99 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.488 1.515 . . . . 0.0 111.693 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 15.2 t -141.2 137.3 16.62 Favored Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 125.009 1.324 . . . . 0.0 110.814 169.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -60.64 153.55 61.02 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.179 2.586 . . . . 0.0 114.852 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -128.55 154.66 45.94 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.269 1.828 . . . . 0.0 111.314 173.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 24.6 p -70.17 152.5 44.21 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.52 1.128 . . . . 0.0 112.334 176.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? . . . . . 0 C--O 1.252 1.191 0 C-N-CA 126.72 2.008 . . . . 0.0 111.452 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.324 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.348 9.3 tp 55.71 -41.56 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 130.868 3.667 . . . . 0.0 116.849 -176.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.71 -39.48 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 120.32 -1.488 . . . . 0.0 111.943 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -69.16 -7.64 38.14 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -85.73 -26.42 25.88 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.278 -0.889 . . . . 0.0 112.799 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -134.06 -18.95 2.02 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -169.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.5 t -90.59 -43.43 10.19 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.847 1.203 . . . . 0.0 112.297 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -77.71 -27.68 50.72 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -142.88 154.71 44.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.716 2.006 . . . . 0.0 110.65 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.78 150.1 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.883 0.873 . . . . 0.0 113.072 -179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.4 p -145.42 170.45 16.33 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.063 0.945 . . . . 0.0 112.317 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.6 m -126.04 155.93 40.73 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.648 1.179 . . . . 0.0 112.533 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.74 -36.11 71.62 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.648 -0.658 . . . . 0.0 112.589 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.72 -32.35 67.32 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.656 1.182 . . . . 0.0 113.393 173.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -84.78 -34.75 22.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.252 1.021 . . . . 0.0 111.857 175.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.85 -26.76 67.06 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 112.339 177.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -58.12 -22.36 50.55 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.809 1.244 . . . . 0.0 113.007 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.76 -23.79 66.13 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.891 -1.13 . . . . 0.0 113.322 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -108.22 1.98 22.47 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.115 1.366 . . . . 0.0 113.512 -172.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.3 p -115.53 165.26 13.2 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.51 1.124 . . . . 0.0 113.327 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -74.56 78.94 1.97 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.39 1.876 . . . . 0.0 112.098 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 C-N-CA 125.066 1.317 . . . . 0.0 112.543 173.51 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.702 0.287 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.7 m -70.37 154.23 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 124.516 1.126 . . . . 0.0 113.352 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 38.3 p-10 -80.83 59.24 3.63 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.602 1.561 . . . . 0.0 112.316 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -105.26 135.62 46.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.128 1.371 . . . . 0.0 112.806 -170.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -90.04 138.83 31.18 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.711 1.205 . . . . 0.0 109.268 168.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.29 132.55 54.05 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.569 1.147 . . . . 0.0 109.592 172.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.8 t -142.2 149.24 39.42 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.979 0.911 . . . . 0.0 111.847 -175.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 52.01 -131.35 36.98 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.156 0.884 . . . . 0.0 113.617 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 21.0 m -55.76 -30.05 60.61 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.84 1.256 . . . . 0.0 113.747 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -74.73 -28.45 60.79 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.33 0.968 . . . . 0.0 112.888 178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.24 -45.72 65.92 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.929 1.292 . . . . 0.0 109.666 172.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.58 -45.7 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.446 0.698 . . . . 0.0 110.752 173.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.1 -45.35 91.1 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.089 -1.007 . . . . 0.0 111.75 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.69 82.45 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.195 0.907 . . . . 0.0 113.37 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.59 -32.39 62.35 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.366 0.984 . . . . 0.0 112.085 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -63.54 -44.8 93.12 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.107 -0.996 . . . . 0.0 110.775 169.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.87 -37.46 79.09 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.741 1.616 . . . . 0.0 112.919 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 9.3 p -68.9 -29.42 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.676 1.125 . . . . 0.0 111.576 173.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 11.1 m -89.28 16.88 6.67 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.058 0.943 . . . . 0.0 113.366 168.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.65 -86.7 0.27 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.852 1.692 . . . . 0.0 112.97 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -136.04 4.41 2.98 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.937 1.695 . . . . 0.0 112.933 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -77.08 -13.27 59.98 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -168.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.29 -167.72 45.56 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 125.381 1.467 . . . . 0.0 116.364 170.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.15 149.35 33.04 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.3 1.44 . . . . 0.0 113.39 176.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.06 153.55 43.04 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.349 0.66 . . . . 0.0 112.507 168.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -136.92 18.25 3.02 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.064 1.345 . . . . 0.0 113.645 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 6.4 t -139.85 144.98 40.77 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 125.717 1.607 . . . . 0.0 111.695 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -74.44 -10.9 22.45 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 123.374 2.716 . . . . 0.0 113.309 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.76 154.05 42.21 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.547 1.139 . . . . 0.0 112.546 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 10.0 t -146.47 165.76 28.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.269 1.428 . . . . 0.0 111.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 125.994 1.717 . . . . 0.0 112.431 -176.888 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.7 mm -60.06 -55.1 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.0 1.32 . . . . 0.0 112.079 -171.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.6 t -68.43 -43.9 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.074 0.55 . . . . 0.0 111.295 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.5 -41.3 63.3 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.278 1.431 . . . . 0.0 112.899 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -66.14 -29.66 70.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -172.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.3 t -102.97 -15.38 16.14 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 171.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -87.96 -32.69 18.75 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.225 -0.922 . . . . 0.0 112.955 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -93.4 -19.8 20.95 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -151.57 169.04 23.07 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.102 1.761 . . . . 0.0 110.395 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -64.89 153.02 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 O-C-N 121.311 -0.868 . . . . 0.0 112.803 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -137.31 170.89 15.32 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.163 0.985 . . . . 0.0 113.133 173.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.5 p -117.33 168.36 10.41 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.617 1.967 . . . . 0.0 113.077 -173.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.1 mt -54.62 -39.97 68.46 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.532 -0.73 . . . . 0.0 111.673 172.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.82 -23.01 65.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.774 0.83 . . . . 0.0 112.972 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -85.41 -36.67 20.53 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.62 0.768 . . . . 0.0 111.27 175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.87 -33.7 74.67 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 121.645 -0.659 . . . . 0.0 111.157 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.85 -4.42 27.93 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.427 1.491 . . . . 0.0 114.825 169.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -110.59 -24.72 10.37 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.862 1.265 . . . . 0.0 113.509 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -71.99 -22.74 61.38 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 p -73.81 156.78 37.43 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -66.11 106.33 1.6 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.603 1.561 . . . . 0.0 112.307 -173.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.121 0 C-N-CA 125.3 1.428 . . . . 0.0 112.844 178.234 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 93.5 t80 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.634 0.254 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -142.86 146.89 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.841 1.657 . . . . 0.0 109.78 171.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -65.44 138.83 58.37 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 122.69 0.396 . . . . 0.0 111.528 -176.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -140.34 156.9 46.26 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.196 1.398 . . . . 0.0 111.214 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -93.64 140.5 29.56 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.099 0.96 . . . . 0.0 110.959 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 82.7 mt -146.65 143.37 28.74 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.287 1.835 . . . . 0.0 110.029 -175.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.62 156.82 46.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.395 0.678 . . . . 0.0 112.045 -178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' GLY . . . . . . . . . . . . . . . 55.09 -134.79 47.95 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.061 0.839 . . . . 0.0 114.115 172.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 25.9 p -56.53 -31.93 64.62 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -71.66 -35.7 70.44 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.226 0.921 . . . . 0.0 111.86 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.9 -40.78 71.99 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.06 0.944 . . . . 0.0 112.047 173.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.8 -47.42 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 123.813 0.845 . . . . 0.0 110.426 173.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.45 -41.14 98.53 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.275 -0.891 . . . . 0.0 111.662 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.91 95.42 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . 0.252 3.9 pp -73.65 -30.3 62.85 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.942 1.246 . . . . 0.0 112.451 174.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.05 -29.18 68.9 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.348 0.977 . . . . 0.0 113.291 169.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.51 -40.61 22.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.145 0.978 . . . . 0.0 112.802 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 97.0 t -88.72 -33.16 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.857 0.863 . . . . 0.0 112.639 -173.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' CYS . . . . . . . . . . . . . 23.9 t -108.03 -3.46 18.71 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.001 1.32 . . . . 0.0 113.536 178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.59 -141.58 32.36 Favored Glycine 0 CA--C 1.532 1.114 0 O-C-N 120.857 -1.152 . . . . 0.0 114.422 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -65.6 -10.63 37.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.749 1.62 . . . . 0.0 114.61 -170.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -56.23 -41.65 76.02 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.76 1.224 . . . . 0.0 112.519 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' GLY . . . . . . . . . . . . . . . 61.89 -160.59 29.79 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.071 0.843 . . . . 0.0 114.442 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -81.94 154.84 25.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.228 1.011 . . . . 0.0 113.26 -175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -61.12 149.41 37.32 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.793 0.837 . . . . 0.0 112.978 173.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -74.19 156.29 37.46 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.094 0.958 . . . . 0.0 112.139 175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 17.5 p -70.78 142.3 88.17 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 123.803 0.841 . . . . 0.0 112.117 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -75.11 158.02 42.01 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.327 2.685 . . . . 0.0 112.696 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -75.68 0.64 17.01 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.312 1.445 . . . . 0.0 114.872 178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 36.5 p -78.61 -13.2 59.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.838 1.655 . . . . 0.0 114.415 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 30.1 ptt-85 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.072 1.749 . . . . 0.0 113.298 -178.498 . . . . . . . . 0 0 . 1 stop_ save_